[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone

C17H20ClNO2 — CID 99836254

IUPAC[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone
SMILESO=C(C1CC=CC1)N1CCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C17H20ClNO2/c18-15-8-4-3-7-14(15)17(21)9-11-19(12-10-17)16(20)13-5-1-2-6-13/h1-4,7-8,13,21H,5-6,9-12H2
InChIKeyJKQVNJZTUGTMQU-UHFFFAOYSA-N
MW305.80 g/mol
LogP3.12
Rot. Bonds2

About [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone

[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone (PubChem CID 99836254) has the molecular formula C17H20ClNO2 and a molecular weight of 305.80 g/mol. Its IUPAC name is [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone
PubChem CID99836254
Molecular FormulaC17H20ClNO2
Molecular Weight305.80 g/mol
Exact Mass305.12
IUPAC Name[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone
SMILESO=C(C1CC=CC1)N1CCC(O)(c2ccccc2Cl)CC1
InChIInChI=1S/C17H20ClNO2/c18-15-8-4-3-7-14(15)17(21)9-11-19(12-10-17)16(20)13-5-1-2-6-13/h1-4,7-8,13,21H,5-6,9-12H2
InChIKeyJKQVNJZTUGTMQU-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Chlophedianol
CID 2795
[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone
CID 2809533
Clofedanol, (R)-
CID 688422
1-{4-[4-Chloro-3-(Trifluoromethyl)phenyl]-4-Hydroxypiperidin-1-Yl}-3-Sulfanylpropan-1-One
CID 70789290
4-(4-Chloro-phenyl)-1-cyclooctylmethyl-piperidin-4-ol
CID 44339504
Cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 1446508
N-[3-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-3-oxopropyl]cyclopentanecarboxamide
CID 59444197
1-[4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-3-[2-(dimethylamino)ethyldisulfanyl]propan-1-one
CID 90667461
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-cyclopentyl-3-methylbutanamide
CID 53384146
5-[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl]pentan-2-one
CID 134600401
1,1-Bis(2-chlorophenyl)-2-methyl-3-(pyrrolidin-1-yl)propan-1-ol--hydrogen chloride (1/1)
CID 215453
1-(4-Chlorophenyl)-1-cyclohexyl-3-piperidin-1-ylpropan-1-ol
CID 11682235

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
The IUPAC name of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone (CID 99836254) is [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone.
What is the SMILES notation for [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
The canonical SMILES for [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone is O=C(C1CC=CC1)N1CCC(O)(c2ccccc2Cl)CC1.
What is the InChIKey of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
The InChIKey is JKQVNJZTUGTMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c18-15-8-4-3-7-14(15)17(21)9-11-19(12-10-17)16(20)13-5-1-2-6-13/h1-4,7-8,13,21H,5-6,9-12H2.
What are the key properties of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone?
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone has a molecular weight of 305.80 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-cyclopent-3-en-1-ylmethanone is sourced from PubChem (CID 99836254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).