1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile

C13H13ClN2O2 — CID 106501014

IUPAC1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile
SMILESN#CC1CCCCN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H13ClN2O2/c14-12-5-4-10(17)7-11(12)13(18)16-6-2-1-3-9(16)8-15/h4-5,7,9,17H,1-3,6H2
InChIKeyCZILQHKPLKZOKN-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.56
Rot. Bonds1

About 1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile

1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile (PubChem CID 106501014) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile
PubChem CID106501014
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile
SMILESN#CC1CCCCN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H13ClN2O2/c14-12-5-4-10(17)7-11(12)13(18)16-6-2-1-3-9(16)8-15/h4-5,7,9,17H,1-3,6H2
InChIKeyCZILQHKPLKZOKN-UHFFFAOYSA-N
XLogP2.56
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-methylbenzoyl)pyrrolidine-2-carbonitrile
CID 107671433
(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid
CID 106500348
1-(2-bromo-5-chlorobenzoyl)piperidine-2-carbonitrile
CID 114027649
(2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 106501693
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379
1-(5-bromo-2-hydroxybenzoyl)pyrrolidine-2-carbonitrile
CID 107729572
1-(3-fluoropyridine-4-carbonyl)piperidine-2-carbonitrile
CID 64949689
2-[1-(2-chloro-5-hydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 106501100
1-(4-fluoro-2-methylbenzoyl)pyrrolidine-2-carbonitrile
CID 113399970
1-(4-fluoro-2-iodobenzoyl)pyrrolidine-2-carbonitrile
CID 114029268
1-(2,3,4-trifluorobenzoyl)pyrrolidine-2-carbonitrile
CID 79016668
2-cyano-N-(3,5-dichlorophenyl)piperidine-1-carboxamide
CID 107653464

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile?
The IUPAC name of 1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile (CID 106501014) is 1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile.
What is the SMILES notation for 1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile?
The canonical SMILES for 1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile is N#CC1CCCCN1C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile?
The InChIKey is CZILQHKPLKZOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-12-5-4-10(17)7-11(12)13(18)16-6-2-1-3-9(16)8-15/h4-5,7,9,17H,1-3,6H2.
What are the key properties of 1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile?
1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile has a molecular weight of 264.71 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile is sourced from PubChem (CID 106501014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).