1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol

C16H25NO2 — CID 82303353

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol
SMILESCOc1cc(C)c(C(C)(O)C2CCCNC2)cc1C
InChIInChI=1S/C16H25NO2/c1-11-9-15(19-4)12(2)8-14(11)16(3,18)13-6-5-7-17-10-13/h8-9,13,17-18H,5-7,10H2,1-4H3
InChIKeyZHULTCUZRHGHEY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.52
Rot. Bonds3

About 1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol

1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol (PubChem CID 82303353) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol
PubChem CID82303353
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol
SMILESCOc1cc(C)c(C(C)(O)C2CCCNC2)cc1C
InChIInChI=1S/C16H25NO2/c1-11-9-15(19-4)12(2)8-14(11)16(3,18)13-6-5-7-17-10-13/h8-9,13,17-18H,5-7,10H2,1-4H3
InChIKeyZHULTCUZRHGHEY-UHFFFAOYSA-N
XLogP2.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[difluoro-(4-methoxy-2,5-dimethylphenyl)methyl]piperidine
CID 116838879
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol
CID 82305735
1-(2-fluoro-5-methylphenyl)-1-piperidin-3-ylethanol
CID 63586093
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol
CID 65145742
3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 116838895
1-(4-tert-butylphenyl)-1-piperidin-3-ylethanol
CID 63586623
N-(2-methoxy-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198711
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
1-piperidin-3-yl-1-(2,3,4-trifluorophenyl)ethanol
CID 63587550
1-tert-butyl-4-methoxy-2,5-dimethylbenzene
CID 23345325

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol (CID 82303353) is 1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol is COc1cc(C)c(C(C)(O)C2CCCNC2)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol?
The InChIKey is ZHULTCUZRHGHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-9-15(19-4)12(2)8-14(11)16(3,18)13-6-5-7-17-10-13/h8-9,13,17-18H,5-7,10H2,1-4H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol?
1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol has a molecular weight of 263.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-1-piperidin-3-ylethanol is sourced from PubChem (CID 82303353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).