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

C15H22ClNO — CID 107559678

IUPAC2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol
SMILESCc1ccc(C(C)(O)CC2CCCCN2)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-11-6-7-12(9-14(11)16)15(2,18)10-13-5-3-4-8-17-13/h6-7,9,13,17-18H,3-5,8,10H2,1-2H3
InChIKeyPIELVXKFGBGXBM-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.39
Rot. Bonds3

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

2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol (PubChem CID 107559678) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol
PubChem CID107559678
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol
SMILESCc1ccc(C(C)(O)CC2CCCCN2)cc1Cl
InChIInChI=1S/C15H22ClNO/c1-11-6-7-12(9-14(11)16)15(2,18)10-13-5-3-4-8-17-13/h6-7,9,13,17-18H,3-5,8,10H2,1-2H3
InChIKeyPIELVXKFGBGXBM-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylphenyl)-1-morpholin-3-ylpropan-2-ol
CID 107559679
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol
CID 102751951
2-(3-chlorothiophen-2-yl)-1-piperidin-2-ylpropan-2-ol
CID 107359181
1-(4-fluoro-2-methylphenyl)-2-methyl-3-piperidin-2-ylpropan-2-ol
CID 114347033
2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106633355
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
2-(3-bromo-2,6-difluorophenyl)-1-piperidin-2-ylpropan-2-ol
CID 106941489
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
1-[1-(4-methylphenyl)-1-phenylethoxy]-2-pyrrolidin-2-ylethane-1,1-diol
CID 143839085
2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine
CID 114350316
2-(4-chlorophenyl)-1-cyclopentylpropan-2-ol
CID 65144991
1-[ethyl(piperidin-2-ylmethyl)amino]-2-phenylpropan-2-ol
CID 106632567

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol (CID 107559678) is 2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol is Cc1ccc(C(C)(O)CC2CCCCN2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol?
The InChIKey is PIELVXKFGBGXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11-6-7-12(9-14(11)16)15(2,18)10-13-5-3-4-8-17-13/h6-7,9,13,17-18H,3-5,8,10H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol?
2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol has a molecular weight of 267.80 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-1-piperidin-2-ylpropan-2-ol is sourced from PubChem (CID 107559678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).