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

C16H25NO2 — CID 54944543

IUPAC2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H25NO2/c1-12-8-13(2)10-17(9-12)11-16(18)14-4-6-15(19-3)7-5-14/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyOITFNRFVXXHMHH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.71
Rot. Bonds4

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

2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol (PubChem CID 54944543) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol
PubChem CID54944543
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H25NO2/c1-12-8-13(2)10-17(9-12)11-16(18)14-4-6-15(19-3)7-5-14/h4-7,12-13,16,18H,8-11H2,1-3H3
InChIKeyOITFNRFVXXHMHH-UHFFFAOYSA-N
XLogP2.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 63470560
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073686
1-(4-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 60971064
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-methoxyphenyl)ethanol
CID 115824259
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60980968
(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 829491
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 42219804
1-(4-aminophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
CID 82065379
1-(4-methoxyphenyl)(213C)ethane-1,2-diol
CID 101170566

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol (CID 54944543) is 2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CN2CC(C)CC(C)C2)cc1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol?
The InChIKey is OITFNRFVXXHMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-8-13(2)10-17(9-12)11-16(18)14-4-6-15(19-3)7-5-14/h4-7,12-13,16,18H,8-11H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol?
2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 54944543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).