2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone

C14H18ClNO2 — CID 154873747

IUPAC2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2cc(Cl)ccc2O)C1
InChIInChI=1S/C14H18ClNO2/c1-10-3-2-6-16(9-10)14(18)8-11-7-12(15)4-5-13(11)17/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeySYQGQDLADASTAJ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.85
Rot. Bonds2

About 2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone

2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 154873747) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID154873747
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cc2cc(Cl)ccc2O)C1
InChIInChI=1S/C14H18ClNO2/c1-10-3-2-6-16(9-10)14(18)8-11-7-12(15)4-5-13(11)17/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeySYQGQDLADASTAJ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 7500183
2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110488890
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
2-(4-chlorophenyl)sulfonyl-1-(3-methylpiperidin-1-yl)ethanone
CID 112779660
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 16878575
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294
2-(2-amino-5-methylphenyl)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 99991754
N-(4-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952332
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4062713
2-(aminomethyl)-4,5-dichlorophenol;3-hydroxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 156723137
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 51519873

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone (CID 154873747) is 2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)Cc2cc(Cl)ccc2O)C1.
What is the InChIKey of 2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is SYQGQDLADASTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-3-2-6-16(9-10)14(18)8-11-7-12(15)4-5-13(11)17/h4-5,7,10,17H,2-3,6,8-9H2,1H3.
What are the key properties of 2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone?
2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 267.76 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 154873747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).