4-methylpiperidine-2-carbonitrile

C7H12N2 — CID 18928247

IUPAC4-methylpiperidine-2-carbonitrile
SMILESCC1CCNC(C#N)C1
InChIInChI=1S/C7H12N2/c1-6-2-3-9-7(4-6)5-8/h6-7,9H,2-4H2,1H3
InChIKeyYDHDNRCXNGNUKM-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.90
Rot. Bonds

About 4-methylpiperidine-2-carbonitrile

4-methylpiperidine-2-carbonitrile (PubChem CID 18928247) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4-methylpiperidine-2-carbonitrile.

Molecular Properties

Compound Name4-methylpiperidine-2-carbonitrile
PubChem CID18928247
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4-methylpiperidine-2-carbonitrile
SMILESCC1CCNC(C#N)C1
InChIInChI=1S/C7H12N2/c1-6-2-3-9-7(4-6)5-8/h6-7,9H,2-4H2,1H3
InChIKeyYDHDNRCXNGNUKM-UHFFFAOYSA-N
XLogP0.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methylpiperidine-2-carbonitrile 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

(2R)-azetidine-2-carbonitrile;hydrochloride
CID 118798148
4-ethylpiperidine-2-carbonitrile
CID 56972748
(4R)-2,4-dimethylpiperidine
CID 144551274
bis((2S)-azetidine-2-carbonitrile);oxalic acid
CID 127263309
(2R)-azetidine-2-carbonitrile;oxalic acid
CID 163197852
4-methyl-2-nitrosopiperidine
CID 91506652
2-chloro-4-methylpiperidine
CID 22714654
piperidine-2-carbonitrile
CID 71315056
N-[[(2R)-4-methylpiperidin-2-yl]methylidene]hydroxylamine
CID 173346253
(2S)-azetidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 174211158
ethane;2-ethyl-4-methylpiperidine
CID 142379207
[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333

Frequently Asked Questions

What is the IUPAC name of 4-methylpiperidine-2-carbonitrile?
The IUPAC name of 4-methylpiperidine-2-carbonitrile (CID 18928247) is 4-methylpiperidine-2-carbonitrile.
What is the SMILES notation for 4-methylpiperidine-2-carbonitrile?
The canonical SMILES for 4-methylpiperidine-2-carbonitrile is CC1CCNC(C#N)C1.
What is the InChIKey of 4-methylpiperidine-2-carbonitrile?
The InChIKey is YDHDNRCXNGNUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-2-3-9-7(4-6)5-8/h6-7,9H,2-4H2,1H3.
What are the key properties of 4-methylpiperidine-2-carbonitrile?
4-methylpiperidine-2-carbonitrile has a molecular weight of 124.19 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperidine-2-carbonitrile is sourced from PubChem (CID 18928247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).