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

C16H25NO — CID 116685638

IUPAC1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
SMILESCc1cc(C)cc(C(O)CC2CC(C)CCN2)c1
InChIInChI=1S/C16H25NO/c1-11-4-5-17-15(9-11)10-16(18)14-7-12(2)6-13(3)8-14/h6-8,11,15-18H,4-5,9-10H2,1-3H3
InChIKeyVHAIEYXSTBEYEO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.12
Rot. Bonds3

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

1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol (PubChem CID 116685638) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
PubChem CID116685638
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
SMILESCc1cc(C)cc(C(O)CC2CC(C)CCN2)c1
InChIInChI=1S/C16H25NO/c1-11-4-5-17-15(9-11)10-16(18)14-7-12(2)6-13(3)8-14/h6-8,11,15-18H,4-5,9-10H2,1-3H3
InChIKeyVHAIEYXSTBEYEO-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685626
1-(3-methoxyphenyl)-2-(4-methylpiperidin-2-yl)ethanol
CID 116685633
2-(4-methylpiperidin-2-yl)-1-(4-methylsulfonylphenyl)ethanol
CID 116685768
2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol
CID 114425978
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
2-(4-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116685769
2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 79560822
[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845
1-(3-chloro-4-fluorophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114426131
1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114425940
1-(4-methyl-3-nitrophenyl)-2-pyrrolidin-2-ylethanol
CID 81466211

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol (CID 116685638) is 1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol is Cc1cc(C)cc(C(O)CC2CC(C)CCN2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol?
The InChIKey is VHAIEYXSTBEYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-4-5-17-15(9-11)10-16(18)14-7-12(2)6-13(3)8-14/h6-8,11,15-18H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol?
1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-(4-methylpiperidin-2-yl)ethanol is sourced from PubChem (CID 116685638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).