1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol

C15H23NO2 — CID 62623816

IUPAC1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
SMILESCc1ccccc1C(O)CCN1CCC(O)CC1
InChIInChI=1S/C15H23NO2/c1-12-4-2-3-5-14(12)15(18)8-11-16-9-6-13(17)7-10-16/h2-5,13,15,17-18H,6-11H2,1H3
InChIKeyPKDSTLZXWAIPEH-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.88
Rot. Bonds4

About 1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol

1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol (PubChem CID 62623816) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
PubChem CID62623816
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
SMILESCc1ccccc1C(O)CCN1CCC(O)CC1
InChIInChI=1S/C15H23NO2/c1-12-4-2-3-5-14(12)15(18)8-11-16-9-6-13(17)7-10-16/h2-5,13,15,17-18H,6-11H2,1H3
InChIKeyPKDSTLZXWAIPEH-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-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62623999
1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 62622922
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 103539283
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 63159696
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 81212708
3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol
CID 62624012
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 102936466
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66370370
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
CID 55159139

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol?
The IUPAC name of 1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol (CID 62623816) is 1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol is Cc1ccccc1C(O)CCN1CCC(O)CC1.
What is the InChIKey of 1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol?
The InChIKey is PKDSTLZXWAIPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-4-2-3-5-14(12)15(18)8-11-16-9-6-13(17)7-10-16/h2-5,13,15,17-18H,6-11H2,1H3.
What are the key properties of 1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol?
1-[3-hydroxy-3-(2-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-(2-methylphenyl)propyl]piperidin-4-ol is sourced from PubChem (CID 62623816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).