[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol

C15H23NO — CID 117025837

IUPAC[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol
SMILESCc1ccccc1N1CCC(C)(C)C(CO)C1
InChIInChI=1S/C15H23NO/c1-12-6-4-5-7-14(12)16-9-8-15(2,3)13(10-16)11-17/h4-7,13,17H,8-11H2,1-3H3
InChIKeyYDWGODKVILBDIW-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.84
Rot. Bonds2

About [4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol

[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol (PubChem CID 117025837) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol
PubChem CID117025837
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol
SMILESCc1ccccc1N1CCC(C)(C)C(CO)C1
InChIInChI=1S/C15H23NO/c1-12-6-4-5-7-14(12)16-9-8-15(2,3)13(10-16)11-17/h4-7,13,17H,8-11H2,1-3H3
InChIKeyYDWGODKVILBDIW-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4,4-dimethyl-1-(2-propan-2-ylphenyl)piperidin-3-yl]methanol
CID 117025849
N,4,4-trimethyl-1-(2-methylphenyl)piperidin-3-amine
CID 117025339
1-[1-(2,3-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]-N-methylmethanamine
CID 117025919
4,4-dimethyl-1-(2-methylphenyl)piperidine-3-carbonitrile
CID 117025414
2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanol
CID 117025606
[1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117026126
2-[1-(2-bromophenyl)-4,4-dimethylpiperidin-3-yl]acetonitrile
CID 117025663
2-[1-(2,5-dimethylphenyl)-4,4-dimethylpiperidin-3-yl]acetonitrile
CID 117025645
4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
CID 82286374
[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine
CID 117007839
(4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine
CID 117025761
(1,4,4-trimethylpiperidin-3-yl)methanol
CID 117025806

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol?
The IUPAC name of [4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol (CID 117025837) is [4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol.
What is the SMILES notation for [4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol?
The canonical SMILES for [4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol is Cc1ccccc1N1CCC(C)(C)C(CO)C1.
What is the InChIKey of [4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol?
The InChIKey is YDWGODKVILBDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-6-4-5-7-14(12)16-9-8-15(2,3)13(10-16)11-17/h4-7,13,17H,8-11H2,1-3H3.
What are the key properties of [4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol?
[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol has a molecular weight of 233.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol is sourced from PubChem (CID 117025837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).