(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone

C13H16ClNO2 — CID 43176497

IUPAC(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H16ClNO2/c1-9-4-2-3-7-15(9)13(17)11-6-5-10(14)8-12(11)16/h5-6,8-9,16H,2-4,7H2,1H3
InChIKeyAUSVBMGWEYSUSF-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.06
Rot. Bonds1

About (4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone

(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 43176497) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID43176497
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C13H16ClNO2/c1-9-4-2-3-7-15(9)13(17)11-6-5-10(14)8-12(11)16/h5-6,8-9,16H,2-4,7H2,1H3
InChIKeyAUSVBMGWEYSUSF-UHFFFAOYSA-N
XLogP3.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60975104
1-(4-chloro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 64559155
1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxamide
CID 54943176
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 97189656
2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid
CID 61010246
ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 43648357
(4-chloro-2-hydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030485
1-(4-chloro-2-hydroxybenzoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364519
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 24885199

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone (CID 43176497) is (4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is AUSVBMGWEYSUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9-4-2-3-7-15(9)13(17)11-6-5-10(14)8-12(11)16/h5-6,8-9,16H,2-4,7H2,1H3.
What are the key properties of (4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone?
(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 253.73 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 43176497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).