[3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol

C15H23NO — CID 66060227

IUPAC[3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol
SMILESCc1ccc(CC2(CO)CCCNC2)cc1C
InChIInChI=1S/C15H23NO/c1-12-4-5-14(8-13(12)2)9-15(11-17)6-3-7-16-10-15/h4-5,8,16-17H,3,6-7,9-11H2,1-2H3
InChIKeyYYUPXYLMMMRALF-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.21
Rot. Bonds3

About [3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol

[3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 66060227) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol
PubChem CID66060227
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol
SMILESCc1ccc(CC2(CO)CCCNC2)cc1C
InChIInChI=1S/C15H23NO/c1-12-4-5-14(8-13(12)2)9-15(11-17)6-3-7-16-10-15/h4-5,8,16-17H,3,6-7,9-11H2,1-2H3
InChIKeyYYUPXYLMMMRALF-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methanol
CID 66059792
[3-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 114349812
4-[[1-(bromomethyl)cyclohexyl]methyl]-1,2-dimethylbenzene
CID 66048678
[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol
CID 66060007
[3-[(3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 66058599
2-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 83079953
[3-(hydroxymethyl)piperidin-3-yl]methanol;hydrochloride
CID 146121139
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 66058530
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 56753257
[3-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 103051183
3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol
CID 20829678
[3-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 154892250

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol (CID 66060227) is [3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol is Cc1ccc(CC2(CO)CCCNC2)cc1C.
What is the InChIKey of [3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is YYUPXYLMMMRALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-4-5-14(8-13(12)2)9-15(11-17)6-3-7-16-10-15/h4-5,8,16-17H,3,6-7,9-11H2,1-2H3.
What are the key properties of [3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol?
[3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 233.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 66060227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).