2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol

C15H22ClNO — CID 117026004

IUPAC2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol
SMILESCc1cc(C)c(N2CCCC(CCO)C2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-11-8-12(2)15(14(16)9-11)17-6-3-4-13(10-17)5-7-18/h8-9,13,18H,3-7,10H2,1-2H3
InChIKeyPPSJXWWVTVFUAN-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.56
Rot. Bonds3

About 2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol

2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol (PubChem CID 117026004) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol
PubChem CID117026004
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol
SMILESCc1cc(C)c(N2CCCC(CCO)C2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-11-8-12(2)15(14(16)9-11)17-6-3-4-13(10-17)5-7-18/h8-9,13,18H,3-7,10H2,1-2H3
InChIKeyPPSJXWWVTVFUAN-UHFFFAOYSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol 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

2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde
CID 114054274
2-[1-(6-methylpyridazin-4-yl)piperidin-3-yl]ethanol
CID 57015018
(1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227965
2-[[1-(2,4,6-trimethylphenyl)piperidin-3-yl]amino]ethanol
CID 117004961
2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 107226933
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 105367514
2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 105370226
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
CID 107227924
(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706030
2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107228400
5-chloro-2-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 107227689

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol (CID 117026004) is 2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol is Cc1cc(C)c(N2CCCC(CCO)C2)c(Cl)c1.
What is the InChIKey of 2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol?
The InChIKey is PPSJXWWVTVFUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11-8-12(2)15(14(16)9-11)17-6-3-4-13(10-17)5-7-18/h8-9,13,18H,3-7,10H2,1-2H3.
What are the key properties of 2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol?
2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol has a molecular weight of 267.80 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 117026004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).