1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone

C24H34Cl2N2O2 — CID 142686113

IUPAC1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone
SMILESO=C(CC1(O)CCCCC1N1CCC(N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H34Cl2N2O2/c25-20-8-7-18(16-21(20)26)22(29)17-24(30)11-3-2-6-23(24)28-14-9-19(10-15-28)27-12-4-1-5-13-27/h7-8,16,19,23,30H,1-6,9-15,17H2
InChIKeyFQWSOAIRZMYVQH-UHFFFAOYSA-N
MW453.45 g/mol
LogP5.19
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone

1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone (PubChem CID 142686113) has the molecular formula C24H34Cl2N2O2 and a molecular weight of 453.45 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone
PubChem CID142686113
Molecular FormulaC24H34Cl2N2O2
Molecular Weight453.45 g/mol
Exact Mass452.20
IUPAC Name1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone
SMILESO=C(CC1(O)CCCCC1N1CCC(N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H34Cl2N2O2/c25-20-8-7-18(16-21(20)26)22(29)17-24(30)11-3-2-6-23(24)28-14-9-19(10-15-28)27-12-4-1-5-13-27/h7-8,16,19,23,30H,1-6,9-15,17H2
InChIKeyFQWSOAIRZMYVQH-UHFFFAOYSA-N
XLogP5.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone with MolForge

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Related Compounds

2-(1-hydroxy-2,3,4,6,7,8,9,9a-octahydroquinolizin-1-yl)acetic acid
CID 83909842
cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
2-(azepan-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 43219228
2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone
CID 43799312
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150
[3-chloro-4-(pyrimidin-2-ylamino)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 118731636
2-(cyclopentylmethylsulfanyl)-1-(3,4-dichlorophenyl)ethanone
CID 63407663
cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543908
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270898
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone (CID 142686113) is 1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone is O=C(CC1(O)CCCCC1N1CCC(N2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone?
The InChIKey is FQWSOAIRZMYVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34Cl2N2O2/c25-20-8-7-18(16-21(20)26)22(29)17-24(30)11-3-2-6-23(24)28-14-9-19(10-15-28)27-12-4-1-5-13-27/h7-8,16,19,23,30H,1-6,9-15,17H2.
What are the key properties of 1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone?
1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone has a molecular weight of 453.45 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-[1-hydroxy-2-(4-piperidin-1-ylpiperidin-1-yl)cyclohexyl]ethanone is sourced from PubChem (CID 142686113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).