1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile

C14H16N2O2 — CID 82829465

IUPAC1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile
SMILESCc1c(O)cccc1C(=O)N1CCCC(C#N)C1
InChIInChI=1S/C14H16N2O2/c1-10-12(5-2-6-13(10)17)14(18)16-7-3-4-11(8-15)9-16/h2,5-6,11,17H,3-4,7,9H2,1H3
InChIKeyTWBUPITTYWHQHC-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.08
Rot. Bonds1

About 1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile

1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile (PubChem CID 82829465) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile
PubChem CID82829465
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile
SMILESCc1c(O)cccc1C(=O)N1CCCC(C#N)C1
InChIInChI=1S/C14H16N2O2/c1-10-12(5-2-6-13(10)17)14(18)16-7-3-4-11(8-15)9-16/h2,5-6,11,17H,3-4,7,9H2,1H3
InChIKeyTWBUPITTYWHQHC-UHFFFAOYSA-N
XLogP2.08
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carbonitrile
CID 81446161
[3-(bromomethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830750
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655
1-(2-chloro-4-methylbenzoyl)piperidine-3-carbonitrile
CID 106861257
[3-(ethylamino)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82827096
(3-hydroxy-2-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 82829577
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 106669828
1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile
CID 114040125
(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82829609
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
1-(3-bromo-4-methylbenzoyl)piperidine-3-carbonitrile
CID 81471933

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile?
The IUPAC name of 1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile (CID 82829465) is 1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile is Cc1c(O)cccc1C(=O)N1CCCC(C#N)C1.
What is the InChIKey of 1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile?
The InChIKey is TWBUPITTYWHQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-12(5-2-6-13(10)17)14(18)16-7-3-4-11(8-15)9-16/h2,5-6,11,17H,3-4,7,9H2,1H3.
What are the key properties of 1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile?
1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile has a molecular weight of 244.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylbenzoyl)piperidine-3-carbonitrile is sourced from PubChem (CID 82829465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).