1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol

C17H27NO2 — CID 111461994

IUPAC1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol
SMILESCCC(O)C1CCCCN1CC(O)c1ccccc1C
InChIInChI=1S/C17H27NO2/c1-3-16(19)15-10-6-7-11-18(15)12-17(20)14-9-5-4-8-13(14)2/h4-5,8-9,15-17,19-20H,3,6-7,10-12H2,1-2H3
InChIKeyCOMHTCIUKOMECM-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.65
Rot. Bonds5

About 1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol

1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol (PubChem CID 111461994) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol
PubChem CID111461994
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol
SMILESCCC(O)C1CCCCN1CC(O)c1ccccc1C
InChIInChI=1S/C17H27NO2/c1-3-16(19)15-10-6-7-11-18(15)12-17(20)14-9-5-4-8-13(14)2/h4-5,8-9,15-17,19-20H,3,6-7,10-12H2,1-2H3
InChIKeyCOMHTCIUKOMECM-UHFFFAOYSA-N
XLogP2.65
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanol
CID 65440471
1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111462643
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanol
CID 55159139
(2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 99846844
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(2-methylphenyl)propan-1-ol
CID 62624367
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
CID 95153941
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
1-[1-(2-pyridin-2-ylethyl)piperidin-2-yl]propan-1-ol
CID 111333426
1-(2-methylphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66370370
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1R)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846837
1-[(2R)-2-hydroxy-3-[(2S)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 99846838

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol?
The IUPAC name of 1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol (CID 111461994) is 1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol?
The canonical SMILES for 1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol is CCC(O)C1CCCCN1CC(O)c1ccccc1C.
What is the InChIKey of 1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol?
The InChIKey is COMHTCIUKOMECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-16(19)15-10-6-7-11-18(15)12-17(20)14-9-5-4-8-13(14)2/h4-5,8-9,15-17,19-20H,3,6-7,10-12H2,1-2H3.
What are the key properties of 1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol?
1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-2-yl]propan-1-ol is sourced from PubChem (CID 111461994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).