2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol

C16H25NO2 — CID 82045025

IUPAC2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCOc1ccc(C(C)(O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-13-8-10-17(11-9-13)12-16(2,18)14-4-6-15(19-3)7-5-14/h4-7,13,18H,8-12H2,1-3H3
InChIKeyBFAWNVWGNXFZPW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.63
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol

2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 82045025) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID82045025
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCOc1ccc(C(C)(O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C16H25NO2/c1-13-8-10-17(11-9-13)12-16(2,18)14-4-6-15(19-3)7-5-14/h4-7,13,18H,8-12H2,1-3H3
InChIKeyBFAWNVWGNXFZPW-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-Desmethylvenlafaxine
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(S)-Venlafaxine
CID 11846746
Venlafaxine, (R)-
CID 9795623
1-{3-[4-(1-Hydroxy-1-propylbutyl)-phenoxy]propyl}piperidine
CID 11978735
1-[4-(3-Piperidin-1-ylpropoxy)phenyl]cyclopentan-1-ol
CID 11978736
4-[4-(3-Piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol
CID 11978737

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol (CID 82045025) is 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol is COc1ccc(C(C)(O)CN2CCC(C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is BFAWNVWGNXFZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-8-10-17(11-9-13)12-16(2,18)14-4-6-15(19-3)7-5-14/h4-7,13,18H,8-12H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol?
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 82045025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).