1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol

C23H31NO3 — CID 13374981

IUPAC1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol
SMILESOC(COc1ccccc1C(O)CCc1ccccc1)CN1CCCCC1
InChIInChI=1S/C23H31NO3/c25-20(17-24-15-7-2-8-16-24)18-27-23-12-6-5-11-21(23)22(26)14-13-19-9-3-1-4-10-19/h1,3-6,9-12,20,22,25-26H,2,7-8,13-18H2
InChIKeyFZGNNKKEFBVGIM-UHFFFAOYSA-N
MW369.50 g/mol
LogP3.58
Rot. Bonds9

About 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol

1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol (PubChem CID 13374981) has the molecular formula C23H31NO3 and a molecular weight of 369.50 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol
PubChem CID13374981
Molecular FormulaC23H31NO3
Molecular Weight369.50 g/mol
Exact Mass369.23
IUPAC Name1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol
SMILESOC(COc1ccccc1C(O)CCc1ccccc1)CN1CCCCC1
InChIInChI=1S/C23H31NO3/c25-20(17-24-15-7-2-8-16-24)18-27-23-12-6-5-11-21(23)22(26)14-13-19-9-3-1-4-10-19/h1,3-6,9-12,20,22,25-26H,2,7-8,13-18H2
InChIKeyFZGNNKKEFBVGIM-UHFFFAOYSA-N
XLogP3.58
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol?
The IUPAC name of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol (CID 13374981) is 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol.
What is the SMILES notation for 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol?
The canonical SMILES for 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol is OC(COc1ccccc1C(O)CCc1ccccc1)CN1CCCCC1.
What is the InChIKey of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol?
The InChIKey is FZGNNKKEFBVGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c25-20(17-24-15-7-2-8-16-24)18-27-23-12-6-5-11-21(23)22(26)14-13-19-9-3-1-4-10-19/h1,3-6,9-12,20,22,25-26H,2,7-8,13-18H2.
What are the key properties of 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol?
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol has a molecular weight of 369.50 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-ol is sourced from PubChem (CID 13374981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).