2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile

C15H18N2O — CID 82179345

IUPAC2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile
SMILESCC1CCCN(C(=O)c2ccccc2CC#N)C1
InChIInChI=1S/C15H18N2O/c1-12-5-4-10-17(11-12)15(18)14-7-3-2-6-13(14)8-9-16/h2-3,6-7,12H,4-5,8,10-11H2,1H3
InChIKeyODGODHROXXEWCW-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.62
Rot. Bonds2

About 2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile

2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile (PubChem CID 82179345) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile
PubChem CID82179345
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile
SMILESCC1CCCN(C(=O)c2ccccc2CC#N)C1
InChIInChI=1S/C15H18N2O/c1-12-5-4-10-17(11-12)15(18)14-7-3-2-6-13(14)8-9-16/h2-3,6-7,12H,4-5,8,10-11H2,1H3
InChIKeyODGODHROXXEWCW-UHFFFAOYSA-N
XLogP2.62
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644
1-[2-(cyanomethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 82179126
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile
CID 82179354
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
(1-chloroisoquinolin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 106765847
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
[2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 94816596

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile?
The IUPAC name of 2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile (CID 82179345) is 2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile?
The canonical SMILES for 2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile is CC1CCCN(C(=O)c2ccccc2CC#N)C1.
What is the InChIKey of 2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile?
The InChIKey is ODGODHROXXEWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-5-4-10-17(11-12)15(18)14-7-3-2-6-13(14)8-9-16/h2-3,6-7,12H,4-5,8,10-11H2,1H3.
What are the key properties of 2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile?
2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylpiperidine-1-carbonyl)phenyl]acetonitrile is sourced from PubChem (CID 82179345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).