1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol

C15H23NO — CID 82475686

IUPAC1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol
SMILESCc1ccc(CCN2CCC(O)CC2)cc1C
InChIInChI=1S/C15H23NO/c1-12-3-4-14(11-13(12)2)5-8-16-9-6-15(17)7-10-16/h3-4,11,15,17H,5-10H2,1-2H3
InChIKeyWTKRWZDEOOUYAS-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.30
Rot. Bonds3

About 1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol

1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol (PubChem CID 82475686) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol
PubChem CID82475686
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol
SMILESCc1ccc(CCN2CCC(O)CC2)cc1C
InChIInChI=1S/C15H23NO/c1-12-3-4-14(11-13(12)2)5-8-16-9-6-15(17)7-10-16/h3-4,11,15,17H,5-10H2,1-2H3
InChIKeyWTKRWZDEOOUYAS-UHFFFAOYSA-N
XLogP2.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
CID 21413261
1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidin-4-ol
CID 82480573
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol
CID 111434356
1-[2-(3,4-dimethylphenyl)ethyl]-1,4-diazepane
CID 82289921
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]piperidin-4-ol
CID 71034592
5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,3-dimethyl-2-benzofuran-1-one
CID 58586240
1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol
CID 82485339
6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 96669721
1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
CID 111423520
1-[2-(3-methyl-4-propan-2-ylphenyl)ethyl]piperidine
CID 177291992

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol (CID 82475686) is 1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol is Cc1ccc(CCN2CCC(O)CC2)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol?
The InChIKey is WTKRWZDEOOUYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-3-4-14(11-13(12)2)5-8-16-9-6-15(17)7-10-16/h3-4,11,15,17H,5-10H2,1-2H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol?
1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol has a molecular weight of 233.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 82475686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).