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

C14H25N3 — CID 83998870

IUPAC2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile
SMILESN#CCN1CCCC(NCC2CCCCC2)C1
InChIInChI=1S/C14H25N3/c15-8-10-17-9-4-7-14(12-17)16-11-13-5-2-1-3-6-13/h13-14,16H,1-7,9-12H2
InChIKeyNMGMLCDATDBKPL-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.14
Rot. Bonds4

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

2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile (PubChem CID 83998870) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile
PubChem CID83998870
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile
SMILESN#CCN1CCCC(NCC2CCCCC2)C1
InChIInChI=1S/C14H25N3/c15-8-10-17-9-4-7-14(12-17)16-11-13-5-2-1-3-6-13/h13-14,16H,1-7,9-12H2
InChIKeyNMGMLCDATDBKPL-UHFFFAOYSA-N
XLogP2.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.14
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-(cyclopentylmethylamino)piperidin-1-yl]acetonitrile
CID 83998178
2-[3-(methylaminomethyl)piperidin-1-yl]acetonitrile
CID 61206091
N-(cyclohexylmethyl)-1-cyclopropylpiperidin-3-amine
CID 83998678
methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998161
N-[2-[3-(cyclohexylmethylamino)piperidin-1-yl]ethyl]acetamide
CID 83998962
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
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-[(1-ethylpiperidin-3-yl)methyl]cyclopentanamine;hydrochloride
CID 115597495
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83998592

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile (CID 83998870) is 2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile is N#CCN1CCCC(NCC2CCCCC2)C1.
What is the InChIKey of 2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile?
The InChIKey is NMGMLCDATDBKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c15-8-10-17-9-4-7-14(12-17)16-11-13-5-2-1-3-6-13/h13-14,16H,1-7,9-12H2.
What are the key properties of 2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile?
2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile has a molecular weight of 235.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethylamino)piperidin-1-yl]acetonitrile is sourced from PubChem (CID 83998870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).