[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone

C15H20ClNO2 — CID 107673269

IUPAC[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCC(C(C)Cl)CC1
InChIInChI=1S/C15H20ClNO2/c1-10-9-13(18)3-4-14(10)15(19)17-7-5-12(6-8-17)11(2)16/h3-4,9,11-12,18H,5-8H2,1-2H3
InChIKeyVSNQMCNFHBGEIB-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.18
Rot. Bonds2

About [4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone

[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone (PubChem CID 107673269) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is [4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
PubChem CID107673269
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCC(C(C)Cl)CC1
InChIInChI=1S/C15H20ClNO2/c1-10-9-13(18)3-4-14(10)15(19)17-7-5-12(6-8-17)11(2)16/h3-4,9,11-12,18H,5-8H2,1-2H3
InChIKeyVSNQMCNFHBGEIB-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107672038
[4-(1-chloroethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 106838914
[4-(ethylamino)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107670477
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
(4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107670478
[4-(1-chloroethyl)piperidin-1-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729122
(3-bromopyrrolidin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107672985
[4-(1-bromoethyl)piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone
CID 114028204
[4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 106838877
(2-bromo-3-methylphenyl)-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 107984073
(4-hydroxy-2-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 107672010

Frequently Asked Questions

What is the IUPAC name of [4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone (CID 107673269) is [4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone is Cc1cc(O)ccc1C(=O)N1CCC(C(C)Cl)CC1.
What is the InChIKey of [4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
The InChIKey is VSNQMCNFHBGEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10-9-13(18)3-4-14(10)15(19)17-7-5-12(6-8-17)11(2)16/h3-4,9,11-12,18H,5-8H2,1-2H3.
What are the key properties of [4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone?
[4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone has a molecular weight of 281.78 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-chloroethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 107673269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).