1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol

C16H25NO2 — CID 82073686

IUPAC1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
SMILESCOc1ccc(C(O)CCN2CCCC(C)C2)cc1
InChIInChI=1S/C16H25NO2/c1-13-4-3-10-17(12-13)11-9-16(18)14-5-7-15(19-2)8-6-14/h5-8,13,16,18H,3-4,9-12H2,1-2H3
InChIKeyMNGOXEMLUWGXNQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.85
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol

1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol (PubChem CID 82073686) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
PubChem CID82073686
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
SMILESCOc1ccc(C(O)CCN2CCCC(C)C2)cc1
InChIInChI=1S/C16H25NO2/c1-13-4-3-10-17(12-13)11-9-16(18)14-5-7-15(19-2)8-6-14/h5-8,13,16,18H,3-4,9-12H2,1-2H3
InChIKeyMNGOXEMLUWGXNQ-UHFFFAOYSA-N
XLogP2.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.85
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-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 55099022
1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507
1-(4-ethylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82073524
1-(4-methoxyphenyl)-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 82073694
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2984720
1-(4-bromophenyl)-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 62619690
2-(3,5-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944543
1-(4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967568
3-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 106589114
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol (CID 82073686) is 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol is COc1ccc(C(O)CCN2CCCC(C)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is MNGOXEMLUWGXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-4-3-10-17(12-13)11-9-16(18)14-5-7-15(19-2)8-6-14/h5-8,13,16,18H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol?
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 82073686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).