1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol

C15H22ClNO — CID 106866125

IUPAC1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol
SMILESCc1ccc(CC(C)(O)C2CCCNC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-11-5-6-12(14(16)8-11)9-15(2,18)13-4-3-7-17-10-13/h5-6,8,13,17-18H,3-4,7,9-10H2,1-2H3
InChIKeyTVKPFWHPBCHVPM-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.94
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol

1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol (PubChem CID 106866125) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol
PubChem CID106866125
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol
SMILESCc1ccc(CC(C)(O)C2CCCNC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-11-5-6-12(14(16)8-11)9-15(2,18)13-4-3-7-17-10-13/h5-6,8,13,17-18H,3-4,7,9-10H2,1-2H3
InChIKeyTVKPFWHPBCHVPM-UHFFFAOYSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol 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

3-[1-(4-bromo-2-chlorophenyl)-2-fluoropropan-2-yl]piperidine
CID 113471739
1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol
CID 65145742
1-(2-chloro-3-fluorophenyl)-2-piperidin-3-ylpropan-2-ol
CID 112652978
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
N-[(2-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106865573
1-(5-methyl-1-benzofuran-2-yl)-1-piperidin-3-ylethanol
CID 114723249
1-(2-fluoro-5-methylphenyl)-1-piperidin-3-ylethanol
CID 63586093
1-(2-chloro-4-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611204
3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 106865472
1-(1-benzothiophen-3-yl)-2-piperidin-3-ylpropan-2-ol
CID 65145479
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chloro-4-methylbenzene
CID 106870728
N-[(2-chloro-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106865765

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol (CID 106866125) is 1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol is Cc1ccc(CC(C)(O)C2CCCNC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol?
The InChIKey is TVKPFWHPBCHVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11-5-6-12(14(16)8-11)9-15(2,18)13-4-3-7-17-10-13/h5-6,8,13,17-18H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol?
1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol has a molecular weight of 267.80 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-piperidin-3-ylpropan-2-ol is sourced from PubChem (CID 106866125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).