(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone

C14H18ClNO2 — CID 106501379

IUPAC(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-2-10-5-3-4-8-16(10)14(18)12-9-11(17)6-7-13(12)15/h6-7,9-10,17H,2-5,8H2,1H3
InChIKeyQFBUBKJUMRDOFE-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.45
Rot. Bonds2

About (2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone

(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 106501379) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID106501379
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-2-10-5-3-4-8-16(10)14(18)12-9-11(17)6-7-13(12)15/h6-7,9-10,17H,2-5,8H2,1H3
InChIKeyQFBUBKJUMRDOFE-UHFFFAOYSA-N
XLogP3.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid
CID 106500348
(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 114922134
(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793408
[2-(chloromethyl)piperidin-1-yl]-(2,5-dihydroxyphenyl)methanone
CID 107725782
(2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 106501693
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carbonitrile
CID 106501014
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 43403986

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone (CID 106501379) is (2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of (2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is QFBUBKJUMRDOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-10-5-3-4-8-16(10)14(18)12-9-11(17)6-7-13(12)15/h6-7,9-10,17H,2-5,8H2,1H3.
What are the key properties of (2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone?
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 267.76 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 106501379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).