1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol

C16H25NO2 — CID 81116306

IUPAC1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol
SMILESCc1cccc(C(O)CCN2CCC(C)(O)CC2)c1
InChIInChI=1S/C16H25NO2/c1-13-4-3-5-14(12-13)15(18)6-9-17-10-7-16(2,19)8-11-17/h3-5,12,15,18-19H,6-11H2,1-2H3
InChIKeyWPXXUEOIMALKSN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.27
Rot. Bonds4

About 1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol

1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol (PubChem CID 81116306) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol
PubChem CID81116306
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol
SMILESCc1cccc(C(O)CCN2CCC(C)(O)CC2)c1
InChIInChI=1S/C16H25NO2/c1-13-4-3-5-14(12-13)15(18)6-9-17-10-7-16(2,19)8-11-17/h3-5,12,15,18-19H,6-11H2,1-2H3
InChIKeyWPXXUEOIMALKSN-UHFFFAOYSA-N
XLogP2.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
1-(3-hydroxy-3-phenylpropyl)-4-methylazepan-4-ol
CID 107408828
3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol
CID 55162523
3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
CID 55156133
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol
CID 81116211
1-[3-amino-3-(3-chlorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81115610
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(3-methylphenyl)propan-1-ol
CID 81214348
3-(4-hydroxy-4-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 81103969
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
ethane;4-methyl-1-(3-methylphenyl)piperidin-4-ol
CID 145068457
3-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylphenyl)propan-1-one
CID 107408651
3-(4,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 62932007

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol (CID 81116306) is 1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol is Cc1cccc(C(O)CCN2CCC(C)(O)CC2)c1.
What is the InChIKey of 1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol?
The InChIKey is WPXXUEOIMALKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-4-3-5-14(12-13)15(18)6-9-17-10-7-16(2,19)8-11-17/h3-5,12,15,18-19H,6-11H2,1-2H3.
What are the key properties of 1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol?
1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81116306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).