[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol

C15H23NO — CID 60685146

IUPAC[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
SMILESCc1cc(C)cc(CN2CCCCC2CO)c1
InChIInChI=1S/C15H23NO/c1-12-7-13(2)9-14(8-12)10-16-6-4-3-5-15(16)11-17/h7-9,15,17H,3-6,10-11H2,1-2H3
InChIKeyWMOHCNPBHSQPBS-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.65
Rot. Bonds3

About [1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol

[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol (PubChem CID 60685146) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is [1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
PubChem CID60685146
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol
SMILESCc1cc(C)cc(CN2CCCCC2CO)c1
InChIInChI=1S/C15H23NO/c1-12-7-13(2)9-14(8-12)10-16-6-4-3-5-15(16)11-17/h7-9,15,17H,3-6,10-11H2,1-2H3
InChIKeyWMOHCNPBHSQPBS-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63758972
methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate
CID 62026011
[1-[(3-amino-5-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 112645998
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
[1-[(2,5-dimethylphenyl)methyl]azepan-2-yl]methanol
CID 116637472
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295
3-amino-N-[[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methyl]propanamide
CID 120581429
N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581633
1-(3,5-dimethylphenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 116638047
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]methanol
CID 115879655

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol (CID 60685146) is [1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol is Cc1cc(C)cc(CN2CCCCC2CO)c1.
What is the InChIKey of [1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol?
The InChIKey is WMOHCNPBHSQPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-7-13(2)9-14(8-12)10-16-6-4-3-5-15(16)11-17/h7-9,15,17H,3-6,10-11H2,1-2H3.
What are the key properties of [1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol?
[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol has a molecular weight of 233.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 60685146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).