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

C15H23NO2 — CID 62623635

IUPAC1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
SMILESCc1cccc(C(O)CCN2CCC(O)CC2)c1
InChIInChI=1S/C15H23NO2/c1-12-3-2-4-13(11-12)15(18)7-10-16-8-5-14(17)6-9-16/h2-4,11,14-15,17-18H,5-10H2,1H3
InChIKeyVBDJMUIGQJRBCY-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.88
Rot. Bonds4

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

1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol (PubChem CID 62623635) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
PubChem CID62623635
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
SMILESCc1cccc(C(O)CCN2CCC(O)CC2)c1
InChIInChI=1S/C15H23NO2/c1-12-3-2-4-13(11-12)15(18)7-10-16-8-5-14(17)6-9-16/h2-4,11,14-15,17-18H,5-10H2,1H3
InChIKeyVBDJMUIGQJRBCY-UHFFFAOYSA-N
XLogP1.88
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol
CID 81116306
1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol
CID 62941921
1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 62941193
1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(3-methylphenyl)propan-1-ol
CID 81214348
1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
2-(4-aminopiperidin-1-yl)-1-(3-methylphenyl)ethanol
CID 56771251
1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 103502832
3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
CID 62630321
1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol
CID 62623074
3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol
CID 55162523

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol?
The IUPAC name of 1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol (CID 62623635) is 1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol is Cc1cccc(C(O)CCN2CCC(O)CC2)c1.
What is the InChIKey of 1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol?
The InChIKey is VBDJMUIGQJRBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-3-2-4-13(11-12)15(18)7-10-16-8-5-14(17)6-9-16/h2-4,11,14-15,17-18H,5-10H2,1H3.
What are the key properties of 1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol?
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol has a molecular weight of 249.35 g/mol, XLogP of 1.88, 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]piperidin-4-ol is sourced from PubChem (CID 62623635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).