[4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone

C18H25ClN2O2 — CID 36882205

IUPAC[4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O2/c19-16-7-5-14(6-8-16)17(22)13-20-9-11-21(12-10-20)18(23)15-3-1-2-4-15/h5-8,15,17,22H,1-4,9-13H2/t17-/m1/s1
InChIKeyFKXRKEHDBBDHBT-QGZVFWFLSA-N
MW336.86 g/mol
LogP2.71
Rot. Bonds4

About [4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone

[4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone (PubChem CID 36882205) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is [4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone
PubChem CID36882205
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name[4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O2/c19-16-7-5-14(6-8-16)17(22)13-20-9-11-21(12-10-20)18(23)15-3-1-2-4-15/h5-8,15,17,22H,1-4,9-13H2/t17-/m1/s1
InChIKeyFKXRKEHDBBDHBT-QGZVFWFLSA-N
XLogP2.71
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 46536157
1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxylic acid
CID 82215837
4-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,4-diazepane-1-carboxamide
CID 111116518
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 111112276
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-N-cyclohexylpiperidine-4-carboxamide
CID 95146791
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone
CID 113074560
ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 11066955
cyclobutyl-[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]methanone;hydrochloride
CID 71783234
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
CID 95299218
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186
[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46445280
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 52990905

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone (CID 36882205) is [4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is FKXRKEHDBBDHBT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-16-7-5-14(6-8-16)17(22)13-20-9-11-21(12-10-20)18(23)15-3-1-2-4-15/h5-8,15,17,22H,1-4,9-13H2/t17-/m1/s1.
What are the key properties of [4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone?
[4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 336.86 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 36882205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).