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- ChemComp-1VZ: 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine -

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Basic information

EntryDatabase: PDB chemical components / ID: 1VZ
NameName: 4-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine

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Chemical information

Composition
Formula: C21H33N3 / Number of atoms: 57 / Formula weight: 327.507 / Formal charge: 0
Others

4l59

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 1VZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4L59
History
Create componentJun 24, 2013
Initial releaseJul 10, 2013
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01N4(c1ccc(cc1)CCN2CCCC2)CCC(N3CCCC3)CC4
CACTVS 3.385C1CCN(C1)CCc2ccc(cc2)N3CCC(CC3)N4CCCC4
OpenEye OEToolkits 1.7.6c1cc(ccc1CCN2CCCC2)N3CCC(CC3)N4CCCC4

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SMILES CANONICAL

CACTVS 3.385C1CCN(C1)CCc2ccc(cc2)N3CCC(CC3)N4CCCC4
OpenEye OEToolkits 1.7.6c1cc(ccc1CCN2CCCC2)N3CCC(CC3)N4CCCC4

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InChI

InChI 1.03InChI=1S/C21H33N3/c1-2-13-22(12-1)16-9-19-5-7-20(8-6-19)24-17-10-21(11-18-24)23-14-3-4-15-23/h5-8,21H,1-4,9-18H2

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InChIKey

InChI 1.03JPTZZWFKOIEDMU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-(pyrrolidin-1-yl)-1-{4-[2-(pyrrolidin-1-yl)ethyl]phenyl}piperidine
OpenEye OEToolkits 1.7.64-pyrrolidin-1-yl-1-[4-(2-pyrrolidin-1-ylethyl)phenyl]piperidine

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PDB entries

Showing all 1 items

PDB-4l59:
Crystal structure of the 3-MBT repeat domain of L3MBTL3 and UNC2533 complex

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