3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol

C15H23NO2 — CID 62612282

IUPAC3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
SMILESOCC1CCCCN1CCC(O)c1ccccc1
InChIInChI=1S/C15H23NO2/c17-12-14-8-4-5-10-16(14)11-9-15(18)13-6-2-1-3-7-13/h1-3,6-7,14-15,17-18H,4-5,8-12H2
InChIKeyKWUAXDNDKGPOBA-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.96
Rot. Bonds5

About 3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol

3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol (PubChem CID 62612282) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
PubChem CID62612282
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
SMILESOCC1CCCCN1CCC(O)c1ccccc1
InChIInChI=1S/C15H23NO2/c17-12-14-8-4-5-10-16(14)11-9-15(18)13-6-2-1-3-7-13/h1-3,6-7,14-15,17-18H,4-5,8-12H2
InChIKeyKWUAXDNDKGPOBA-UHFFFAOYSA-N
XLogP1.96
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
CID 116638257
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 62629485
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol
CID 62613754
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 62619330
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 62645441
3-[2-(2-hydroxy-2-phenylethyl)azepan-1-yl]propanoic acid;hydrochloride
CID 119934761
4-[2-(hydroxymethyl)azepan-1-yl]butan-2-ol
CID 116636768
3-[2-(hydroxymethyl)azepan-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 116638232
1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 62265580
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol?
The IUPAC name of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol (CID 62612282) is 3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol is OCC1CCCCN1CCC(O)c1ccccc1.
What is the InChIKey of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol?
The InChIKey is KWUAXDNDKGPOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-12-14-8-4-5-10-16(14)11-9-15(18)13-6-2-1-3-7-13/h1-3,6-7,14-15,17-18H,4-5,8-12H2.
What are the key properties of 3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol?
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 62612282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).