2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone

C20H21Cl2NO2 — CID 55589570

IUPAC2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C20H21Cl2NO2/c21-17-7-4-8-18(22)16(17)13-19(24)23-11-9-15(10-12-23)20(25)14-5-2-1-3-6-14/h1-8,15,20,25H,9-13H2
InChIKeyPMKHIOHANYJTLL-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.51
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone

2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 55589570) has the molecular formula C20H21Cl2NO2 and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
PubChem CID55589570
Molecular FormulaC20H21Cl2NO2
Molecular Weight378.30 g/mol
Exact Mass377.09
IUPAC Name2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1c(Cl)cccc1Cl)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C20H21Cl2NO2/c21-17-7-4-8-18(22)16(17)13-19(24)23-11-9-15(10-12-23)20(25)14-5-2-1-3-6-14/h1-8,15,20,25H,9-13H2
InChIKeyPMKHIOHANYJTLL-UHFFFAOYSA-N
XLogP4.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(2,6-dichlorophenyl)acetyl]piperidin-4-yl]-2-hydroxyacetic acid
CID 146102267
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
CID 17494701
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,6-dichlorophenyl)ethanone;hydrochloride
CID 119520540
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 47022417
2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 110883117
N-(2-chlorophenyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 110890318
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 134023907
3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 55517345
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110891683
1-[4-(1-chloroethyl)piperidin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 106838886

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone (CID 55589570) is 2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone is O=C(Cc1c(Cl)cccc1Cl)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is PMKHIOHANYJTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO2/c21-17-7-4-8-18(22)16(17)13-19(24)23-11-9-15(10-12-23)20(25)14-5-2-1-3-6-14/h1-8,15,20,25H,9-13H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 378.30 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 55589570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).