[3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone

C18H17Cl2NO2 — CID 19692461

IUPAC[3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(O)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H17Cl2NO2/c19-15-8-7-14(11-16(15)20)18(23)9-4-10-21(12-18)17(22)13-5-2-1-3-6-13/h1-3,5-8,11,23H,4,9-10,12H2
InChIKeyPVSAXKFPVSZXGM-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.12
Rot. Bonds2

About [3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone

[3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone (PubChem CID 19692461) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is [3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone
PubChem CID19692461
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC Name[3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(O)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H17Cl2NO2/c19-15-8-7-14(11-16(15)20)18(23)9-4-10-21(12-18)17(22)13-5-2-1-3-6-13/h1-3,5-8,11,23H,4,9-10,12H2
InChIKeyPVSAXKFPVSZXGM-UHFFFAOYSA-N
XLogP4.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(3,4-Dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 13932579
N-[2-(3,4-Dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidino)butyl]-N-methylbenzamide
CID 18964186
1-Benzyl-5-(3,4-dichlorophenyl)-5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]piperidin-2-one
CID 21699577
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(3-hydroxypentan-3-yl)piperidin-1-yl]butyl]-N-methylbenzamide
CID 54537190
N-{3-(3,4-Dichloro-phenyl)-5-(4-hydroxy-4-phenyl-piperidin-1-yl)-2-[(Z)-methoxyimino]-pentyl}-3,5,N-trimethyl-benzamide
CID 44281977
[(4R,4aS,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(4-chlorophenyl)methanone
CID 54587075
Chlorohaloperidol
CID 173712
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-ethyl-1-hydroxy-propyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 9914111
(3,4-Dichloro-phenyl)-[4-(3,4-dichloro-phenyl)-4-hydroxy-1-methyl-piperidin-3-yl]-methanone
CID 10477960
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-ethyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 22405732
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-propyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 22405758
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-butyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 22405764

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone (CID 19692461) is [3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC(O)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone?
The InChIKey is PVSAXKFPVSZXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c19-15-8-7-14(11-16(15)20)18(23)9-4-10-21(12-18)17(22)13-5-2-1-3-6-13/h1-3,5-8,11,23H,4,9-10,12H2.
What are the key properties of [3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone?
[3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone has a molecular weight of 350.25 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dichlorophenyl)-3-hydroxypiperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 19692461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).