(4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone

C20H20Cl3NO — CID 122181605

IUPAC(4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H20Cl3NO/c21-17-4-2-15(3-5-17)20(25)16-8-11-24(12-9-16)10-7-14-1-6-18(22)19(23)13-14/h1-6,13,16H,7-12H2
InChIKeyJJAQXDSMGSFRJT-UHFFFAOYSA-N
MW396.75 g/mol
LogP5.78
Rot. Bonds5

About (4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone

(4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone (PubChem CID 122181605) has the molecular formula C20H20Cl3NO and a molecular weight of 396.75 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone
PubChem CID122181605
Molecular FormulaC20H20Cl3NO
Molecular Weight396.75 g/mol
Exact Mass395.06
IUPAC Name(4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(CCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H20Cl3NO/c21-17-4-2-15(3-5-17)20(25)16-8-11-24(12-9-16)10-7-14-1-6-18(22)19(23)13-14/h1-6,13,16H,7-12H2
InChIKeyJJAQXDSMGSFRJT-UHFFFAOYSA-N
XLogP5.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.75
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Hptp
CID 171187
(4-Benzylpiperidin-1-yl)(3-chlorophenyl)methanone
CID 814705
1-Propanone, 1-(4-chlorophenyl)-3-(1-piperidinyl)-, hydrochloride
CID 199915
Cloroperone Hydrochloride
CID 41535
Cloroperone
CID 41536
N-(1-Phenylpropionyl)-4-(4-chlorophenyl)-1,2,3,6-tetrahydropyridine
CID 3083457
1-(3,4-Dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5218417
[1-(3-Chlorobenzyl)-3-piperidinyl](2,5-difluorophenyl)methanone
CID 16189082
1-(3-Chlorophenyl)-3-(piperidin-1-yl)propan-1-one
CID 268649
[4-(4-Chloro-benzoyl)-piperidin-1-yl]-phenyl-methanone
CID 1437817
1-(3,4-Dichlorophenyl)-3-(dimethylamino)propan-1-one--hydrogen chloride (1/1)
CID 2876896
N-[2-(3,4-Dichloro-phenyl)-4-(4-phenyl-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 9849962

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone (CID 122181605) is (4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCN(CCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone?
The InChIKey is JJAQXDSMGSFRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl3NO/c21-17-4-2-15(3-5-17)20(25)16-8-11-24(12-9-16)10-7-14-1-6-18(22)19(23)13-14/h1-6,13,16H,7-12H2.
What are the key properties of (4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone has a molecular weight of 396.75 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[2-(3,4-dichlorophenyl)ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 122181605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).