2-[(3S)-6-methylpiperidin-3-yl]acetonitrile

C8H14N2 — CID 159706761

IUPAC2-[(3S)-6-methylpiperidin-3-yl]acetonitrile
SMILESCC1CC[C@@H](CC#N)CN1
InChIInChI=1S/C8H14N2/c1-7-2-3-8(4-5-9)6-10-7/h7-8,10H,2-4,6H2,1H3/t7?,8-/m0/s1
InChIKeyNCEGAANENXIUNN-MQWKRIRWSA-N
MW138.21 g/mol
LogP1.29
Rot. Bonds1

About 2-[(3S)-6-methylpiperidin-3-yl]acetonitrile

2-[(3S)-6-methylpiperidin-3-yl]acetonitrile (PubChem CID 159706761) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-[(3S)-6-methylpiperidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[(3S)-6-methylpiperidin-3-yl]acetonitrile
PubChem CID159706761
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-[(3S)-6-methylpiperidin-3-yl]acetonitrile
SMILESCC1CC[C@@H](CC#N)CN1
InChIInChI=1S/C8H14N2/c1-7-2-3-8(4-5-9)6-10-7/h7-8,10H,2-4,6H2,1H3/t7?,8-/m0/s1
InChIKeyNCEGAANENXIUNN-MQWKRIRWSA-N
XLogP1.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3S)-6-methylpiperidin-3-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-ethyl-2-methylpiperidine
CID 89383563
[(3R,6S)-6-methylpiperidin-3-yl]methanol
CID 96581848
[(3S,6S)-6-methylpiperidin-3-yl]methanol;hydrochloride
CID 166105009
2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol
CID 172701028
2-methyl-5-(3-methylbutyl)piperidine
CID 104823506
methyl 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
5-(3-methoxypropyl)-2-methylpiperidine
CID 106781710
2-(azetidin-3-yl)acetonitrile;dihydrochloride
CID 162299627
(3R,6S)-6-methylpiperidin-3-amine
CID 124581989
3-[(6-methylpiperidin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 131097789
(2S,5R)-5-benzyl-2-methylpiperidine
CID 130765176
5-(3-methoxy-3-methylbutyl)-2-methylpiperidine
CID 106777707

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-6-methylpiperidin-3-yl]acetonitrile?
The IUPAC name of 2-[(3S)-6-methylpiperidin-3-yl]acetonitrile (CID 159706761) is 2-[(3S)-6-methylpiperidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[(3S)-6-methylpiperidin-3-yl]acetonitrile?
The canonical SMILES for 2-[(3S)-6-methylpiperidin-3-yl]acetonitrile is CC1CC[C@@H](CC#N)CN1.
What is the InChIKey of 2-[(3S)-6-methylpiperidin-3-yl]acetonitrile?
The InChIKey is NCEGAANENXIUNN-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-2-3-8(4-5-9)6-10-7/h7-8,10H,2-4,6H2,1H3/t7?,8-/m0/s1.
What are the key properties of 2-[(3S)-6-methylpiperidin-3-yl]acetonitrile?
2-[(3S)-6-methylpiperidin-3-yl]acetonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-6-methylpiperidin-3-yl]acetonitrile is sourced from PubChem (CID 159706761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).