2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

C15H20ClNO3 — CID 60957270

IUPAC2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)N1CCC(CO)CC1
InChIInChI=1S/C15H20ClNO3/c1-20-14-3-2-13(16)8-12(14)9-15(19)17-6-4-11(10-18)5-7-17/h2-3,8,11,18H,4-7,9-10H2,1H3
InChIKeyYJSKZCQRHMNNTQ-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.12
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone

2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 60957270) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID60957270
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(Cl)cc1CC(=O)N1CCC(CO)CC1
InChIInChI=1S/C15H20ClNO3/c1-20-14-3-2-13(16)8-12(14)9-15(19)17-6-4-11(10-18)5-7-17/h2-3,8,11,18H,4-7,9-10H2,1H3
InChIKeyYJSKZCQRHMNNTQ-UHFFFAOYSA-N
XLogP2.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110767238
2-(5-chloro-2-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559727
2-(5-chloro-2-methoxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029346
2-(5-chloro-2-methoxyphenyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 103900213
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878843
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone;hydrochloride
CID 119661557
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 51519873
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 9087034
(3S)-1-[2-(5-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
CID 172675142
2-(5-chloro-2-methoxyphenyl)-1-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 126793023
2-(5-chloro-2-methoxyphenyl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107406639
2-(5-chloro-2-methoxyphenyl)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 110804904

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 60957270) is 2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone is COc1ccc(Cl)cc1CC(=O)N1CCC(CO)CC1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is YJSKZCQRHMNNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-20-14-3-2-13(16)8-12(14)9-15(19)17-6-4-11(10-18)5-7-17/h2-3,8,11,18H,4-7,9-10H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone?
2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 297.78 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 60957270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).