2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone

C18H25ClN2O2 — CID 91204468

IUPAC2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
SMILESO=C(C(c1cccc(Cl)c1)C1(O)CCCCC1)N1CCNCC1
InChIInChI=1S/C18H25ClN2O2/c19-15-6-4-5-14(13-15)16(18(23)7-2-1-3-8-18)17(22)21-11-9-20-10-12-21/h4-6,13,16,20,23H,1-3,7-12H2
InChIKeyDKYKWKFCXVHGAA-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.55
Rot. Bonds3

About 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone

2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone (PubChem CID 91204468) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
PubChem CID91204468
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
SMILESO=C(C(c1cccc(Cl)c1)C1(O)CCCCC1)N1CCNCC1
InChIInChI=1S/C18H25ClN2O2/c19-15-6-4-5-14(13-15)16(18(23)7-2-1-3-8-18)17(22)21-11-9-20-10-12-21/h4-6,13,16,20,23H,1-3,7-12H2
InChIKeyDKYKWKFCXVHGAA-UHFFFAOYSA-N
XLogP2.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 68853928
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-N,N-dimethylacetamide
CID 14739989
2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82511839
2-(3-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 119401955
1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11383887
tert-butyl N-[(3S)-1-[(2S)-2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]carbamate
CID 86599053
1-(4-tert-butylpiperazin-1-yl)-2-(3-chlorophenyl)-2-(1-hydroxy-3,3,5,5-tetramethylcyclohexyl)ethanone
CID 90817453
2-(3-ethyl-2-phenylphenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone
CID 174510592
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
butyl N-[(3R)-1-[2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]carbamate
CID 154120762
2-(1-hydroxycyclohexyl)-2-[2-(2-phenylethyl)phenyl]-1-piperazin-1-ylethanone
CID 174510591
2-[(3R)-1-hydroxy-3-methylcyclohexyl]-1-piperazin-1-yl-2-[3-(trifluoromethoxy)phenyl]ethanone
CID 141128694

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone (CID 91204468) is 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone is O=C(C(c1cccc(Cl)c1)C1(O)CCCCC1)N1CCNCC1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone?
The InChIKey is DKYKWKFCXVHGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-15-6-4-5-14(13-15)16(18(23)7-2-1-3-8-18)17(22)21-11-9-20-10-12-21/h4-6,13,16,20,23H,1-3,7-12H2.
What are the key properties of 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone?
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone has a molecular weight of 336.86 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 91204468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).