1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol

C21H27NO2 — CID 44523510

IUPAC1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol
SMILESOC(COCc1ccc(-c2ccccc2)cc1)CN1CCCCC1
InChIInChI=1S/C21H27NO2/c23-21(15-22-13-5-2-6-14-22)17-24-16-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21,23H,2,5-6,13-17H2
InChIKeyMUFRWNDLHBQCLD-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.72
Rot. Bonds7

About 1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol

1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 44523510) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID44523510
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol
SMILESOC(COCc1ccc(-c2ccccc2)cc1)CN1CCCCC1
InChIInChI=1S/C21H27NO2/c23-21(15-22-13-5-2-6-14-22)17-24-16-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21,23H,2,5-6,13-17H2
InChIKeyMUFRWNDLHBQCLD-UHFFFAOYSA-N
XLogP3.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol (CID 44523510) is 1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol is OC(COCc1ccc(-c2ccccc2)cc1)CN1CCCCC1.
What is the InChIKey of 1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is MUFRWNDLHBQCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c23-21(15-22-13-5-2-6-14-22)17-24-16-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21,23H,2,5-6,13-17H2.
What are the key properties of 1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol?
1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 325.45 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methoxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 44523510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).