1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol

C15H23NO — CID 81116386

IUPAC1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol
SMILESCc1ccc(CN2CCC(C)(O)CC2)cc1C
InChIInChI=1S/C15H23NO/c1-12-4-5-14(10-13(12)2)11-16-8-6-15(3,17)7-9-16/h4-5,10,17H,6-9,11H2,1-3H3
InChIKeyIVWWOLZQRQXURC-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.65
Rot. Bonds2

About 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol

1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol (PubChem CID 81116386) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol
PubChem CID81116386
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol
SMILESCc1ccc(CN2CCC(C)(O)CC2)cc1C
InChIInChI=1S/C15H23NO/c1-12-4-5-14(10-13(12)2)11-16-8-6-15(3,17)7-9-16/h4-5,10,17H,6-9,11H2,1-3H3
InChIKeyIVWWOLZQRQXURC-UHFFFAOYSA-N
XLogP2.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161856
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-methylpiperidin-4-ol
CID 106785659
1-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 123780997
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylazepan-4-ol
CID 107403894
(3R)-8-[(3,4-dimethylphenyl)methyl]-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97487653
1-[[3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methylpiperidin-4-ol
CID 81103699
4-methyl-1-[(3-nitrophenyl)methyl]piperidin-4-ol
CID 80702376
3-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 81096786

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol (CID 81116386) is 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol is Cc1ccc(CN2CCC(C)(O)CC2)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol?
The InChIKey is IVWWOLZQRQXURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-4-5-14(10-13(12)2)11-16-8-6-15(3,17)7-9-16/h4-5,10,17H,6-9,11H2,1-3H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol?
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol has a molecular weight of 233.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81116386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).