[1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol

C16H25NO — CID 117024942

IUPAC[1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol
SMILESCc1cccc(C)c1N1CCC(CO)C(C)(C)C1
InChIInChI=1S/C16H25NO/c1-12-6-5-7-13(2)15(12)17-9-8-14(10-18)16(3,4)11-17/h5-7,14,18H,8-11H2,1-4H3
InChIKeyARPAYRJBZTZNEY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.15
Rot. Bonds2

About [1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol

[1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol (PubChem CID 117024942) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol
PubChem CID117024942
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol
SMILESCc1cccc(C)c1N1CCC(CO)C(C)(C)C1
InChIInChI=1S/C16H25NO/c1-12-6-5-7-13(2)15(12)17-9-8-14(10-18)16(3,4)11-17/h5-7,14,18H,8-11H2,1-4H3
InChIKeyARPAYRJBZTZNEY-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024971
[1-(4-bromophenyl)-3,3-dimethylpiperidin-4-yl]methanol
CID 117024959
[3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012396
2-[3,3-dimethyl-1-(2-methylphenyl)piperidin-4-yl]acetic acid
CID 117024644
[1-(2,6-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020695
[3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol
CID 117024926
[3-amino-1-(2,6-dimethylphenyl)piperidin-3-yl]methanol
CID 117012529
2-[1-(3-methoxyphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024701
2-[1-(4-bromo-3-methylphenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024708
2-[1-(2-bromophenyl)-3,3-dimethylpiperidin-4-yl]ethanol
CID 117024704
[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117025837
2-[4-(hydroxymethyl)piperidin-1-yl]-3-methylbenzonitrile
CID 107106438

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol?
The IUPAC name of [1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol (CID 117024942) is [1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol is Cc1cccc(C)c1N1CCC(CO)C(C)(C)C1.
What is the InChIKey of [1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol?
The InChIKey is ARPAYRJBZTZNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-5-7-13(2)15(12)17-9-8-14(10-18)16(3,4)11-17/h5-7,14,18H,8-11H2,1-4H3.
What are the key properties of [1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol?
[1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylphenyl)-3,3-dimethylpiperidin-4-yl]methanol is sourced from PubChem (CID 117024942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).