4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride

C12H16ClN3 — CID 166607137

IUPAC4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(N2CCC[C@@H](N)C2)cc1
InChIInChI=1S/C12H15N3.ClH/c13-8-10-3-5-12(6-4-10)15-7-1-2-11(14)9-15;/h3-6,11H,1-2,7,9,14H2;1H/t11-;/m1./s1
InChIKeyHLJPEQJEJVSCNH-RFVHGSKJSA-N
MW237.73 g/mol
LogP1.91
Rot. Bonds1

About 4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride

4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride (PubChem CID 166607137) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride
PubChem CID166607137
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(N2CCC[C@@H](N)C2)cc1
InChIInChI=1S/C12H15N3.ClH/c13-8-10-3-5-12(6-4-10)15-7-1-2-11(14)9-15;/h3-6,11H,1-2,7,9,14H2;1H/t11-;/m1./s1
InChIKeyHLJPEQJEJVSCNH-RFVHGSKJSA-N
XLogP1.91
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(3-aminopiperidin-1-yl)benzoic acid
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1-[4-(methylamino)phenyl]piperidin-3-amine
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4-[[(3S)-3-aminopiperidin-1-yl]methyl]benzonitrile
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1-(4-methylphenyl)azepan-3-amine
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3-(3-aminopyrrolidin-1-yl)benzonitrile
CID 62068386
4-[3-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]benzonitrile
CID 117005027
(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
CID 82038542
1-(3,4-dichlorophenyl)piperidin-3-amine
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4-(3-cyclopropylazetidin-1-yl)benzonitrile
CID 90001838

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride?
The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride (CID 166607137) is 4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride.
What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride?
The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride is Cl.N#Cc1ccc(N2CCC[C@@H](N)C2)cc1.
What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride?
The InChIKey is HLJPEQJEJVSCNH-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H15N3.ClH/c13-8-10-3-5-12(6-4-10)15-7-1-2-11(14)9-15;/h3-6,11H,1-2,7,9,14H2;1H/t11-;/m1./s1.
What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride?
4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopiperidin-1-yl]benzonitrile;hydrochloride is sourced from PubChem (CID 166607137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).