1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile

C14H15ClN2O2 — CID 107160760

IUPAC1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(C(=O)c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C14H15ClN2O2/c1-14(9-16)4-6-17(7-5-14)13(19)11-8-10(18)2-3-12(11)15/h2-3,8,18H,4-7H2,1H3
InChIKeyMVLXILNVGZMTQF-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.81
Rot. Bonds1

About 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile

1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile (PubChem CID 107160760) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile
PubChem CID107160760
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(C(=O)c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C14H15ClN2O2/c1-14(9-16)4-6-17(7-5-14)13(19)11-8-10(18)2-3-12(11)15/h2-3,8,18H,4-7H2,1H3
InChIKeyMVLXILNVGZMTQF-UHFFFAOYSA-N
XLogP2.81
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 106500274
4-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-4-carbonitrile
CID 113364805
2-[4-(2-chloro-5-hydroxybenzoyl)piperazin-1-yl]butanenitrile
CID 106501009
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide
CID 106500981
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile
CID 113364813
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106501471
[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106502596
(2-chloro-5-hydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 106501434
N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
CID 103993100
1-(4-hydroxy-2-methylbenzoyl)-4-methylsulfanylpiperidine-4-carbonitrile
CID 107671436
(2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 106502455

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile (CID 107160760) is 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(C(=O)c2cc(O)ccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile?
The InChIKey is MVLXILNVGZMTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-14(9-16)4-6-17(7-5-14)13(19)11-8-10(18)2-3-12(11)15/h2-3,8,18H,4-7H2,1H3.
What are the key properties of 1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile?
1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carbonitrile has a molecular weight of 278.74 g/mol, XLogP of 2.81, 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)-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 107160760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).