2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile

C13H23N3 — CID 83998178

IUPAC2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile
SMILESN#CCN1CCCC(NCC2CCCC2)C1
InChIInChI=1S/C13H23N3/c14-7-9-16-8-3-6-13(11-16)15-10-12-4-1-2-5-12/h12-13,15H,1-6,8-11H2
InChIKeyGWMGWFZTAUOKNR-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.75
Rot. Bonds4

About 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile

2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile (PubChem CID 83998178) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile
PubChem CID83998178
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile
SMILESN#CCN1CCCC(NCC2CCCC2)C1
InChIInChI=1S/C13H23N3/c14-7-9-16-8-3-6-13(11-16)15-10-12-4-1-2-5-12/h12-13,15H,1-6,8-11H2
InChIKeyGWMGWFZTAUOKNR-UHFFFAOYSA-N
XLogP1.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile
CID 83998870
2-[3-(methylaminomethyl)piperidin-1-yl]acetonitrile
CID 61206091
methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998161
N-(cyclohexylmethyl)-1-cyclopropylpiperidin-3-amine
CID 83998678
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
N-[2-[3-(cyclopentylmethylamino)piperidin-1-yl]ethyl]acetamide
CID 83998270
2-[3-(cyclobutylmethylamino)-5-(4-methylphenyl)piperidin-1-yl]acetonitrile
CID 83997512
tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998176
N-[2-[3-(cyclohexylmethylamino)piperidin-1-yl]ethyl]acetamide
CID 83998962
N-[(1-ethylpiperidin-3-yl)methyl]cyclopentanamine;hydrochloride
CID 115597495
2-[[1-[2-(dimethylamino)ethyl]piperidin-3-yl]amino]acetonitrile
CID 117004768
2-[3-(propan-2-ylamino)pyrrolidin-1-yl]acetonitrile
CID 170381955

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile (CID 83998178) is 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile is N#CCN1CCCC(NCC2CCCC2)C1.
What is the InChIKey of 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile?
The InChIKey is GWMGWFZTAUOKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c14-7-9-16-8-3-6-13(11-16)15-10-12-4-1-2-5-12/h12-13,15H,1-6,8-11H2.
What are the key properties of 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile?
2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile has a molecular weight of 221.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile is sourced from PubChem (CID 83998178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).