1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol

C17H27NO — CID 79037737

IUPAC1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol
SMILESCc1cc(C)cc(C(O)CN2CCC(C)(C)CC2)c1
InChIInChI=1S/C17H27NO/c1-13-9-14(2)11-15(10-13)16(19)12-18-7-5-17(3,4)6-8-18/h9-11,16,19H,5-8,12H2,1-4H3
InChIKeyWYKIATXZEUZNJP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.46
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol

1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol (PubChem CID 79037737) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol
PubChem CID79037737
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol
SMILESCc1cc(C)cc(C(O)CN2CCC(C)(C)CC2)c1
InChIInChI=1S/C17H27NO/c1-13-9-14(2)11-15(10-13)16(19)12-18-7-5-17(3,4)6-8-18/h9-11,16,19H,5-8,12H2,1-4H3
InChIKeyWYKIATXZEUZNJP-UHFFFAOYSA-N
XLogP3.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79040152
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(3,5-dimethylphenyl)ethanol
CID 111487620
2-(4-tert-butylpiperazin-1-yl)-1-(3,5-dimethylphenyl)ethanol
CID 79037151
1-[4-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 111476069
1-(3,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanol
CID 79037989
1-(3,5-dimethylphenyl)-2-[4-(oxan-4-yloxy)piperidin-1-yl]ethanol
CID 111476827
2-(4,4-dimethylazepan-1-yl)-1-(4-ethylphenyl)ethanol
CID 65282317
1-(3,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038375
1-(3,5-dimethylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
CID 111476430
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol
CID 103936749
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
1-(2,4-dimethylphenyl)-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 79038082

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol (CID 79037737) is 1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol is Cc1cc(C)cc(C(O)CN2CCC(C)(C)CC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol?
The InChIKey is WYKIATXZEUZNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-9-14(2)11-15(10-13)16(19)12-18-7-5-17(3,4)6-8-18/h9-11,16,19H,5-8,12H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol?
1-(3,5-dimethylphenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.46, 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)-2-(4,4-dimethylpiperidin-1-yl)ethanol is sourced from PubChem (CID 79037737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).