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- ChemComp-MRZ: piperidine-1-carboximidamide -

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Basic information

EntryDatabase: PDB chemical components / ID: MRZ
NameName: piperidine-1-carboximidamide

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Chemical information

Composition
Formula: C6H13N3 / Number of atoms: 22 / Formula weight: 127.188 / Formal charge: 0
Others

4x1n

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MRZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4X1N
History
Create componentDec 8, 2014
Initial releaseMar 25, 2015
External linksUniChem / ChemSpider / BindingDB / ChEMBL / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 12.01[N@H]=C(N)N1CCCCC1
CACTVS 3.385NC(=N)N1CCCCC1
OpenEye OEToolkits 1.9.2C1CCN(CC1)C(=N)N

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SMILES CANONICAL

CACTVS 3.385NC(=N)N1CCCCC1
OpenEye OEToolkits 1.9.2[H]/N=C(\N)/N1CCCCC1

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InChI

InChI 1.03InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)

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InChIKey

InChI 1.03QUUYRYYUKNNNNS-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01piperidine-1-carboximidamide
OpenEye OEToolkits 1.9.2piperidine-1-carboximidamide

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PDB entries

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