2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol

C21H27NO — CID 57156280

IUPAC2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol
SMILESCC(O)(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H27NO/c1-21(23,14-17-22-15-6-3-7-16-22)20-12-10-19(11-13-20)18-8-4-2-5-9-18/h2,4-5,8-13,23H,3,6-7,14-17H2,1H3
InChIKeyXZROLNDKSXMSBY-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.44
Rot. Bonds5

About 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol

2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol (PubChem CID 57156280) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol
PubChem CID57156280
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol
SMILESCC(O)(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H27NO/c1-21(23,14-17-22-15-6-3-7-16-22)20-12-10-19(11-13-20)18-8-4-2-5-9-18/h2,4-5,8-13,23H,3,6-7,14-17H2,1H3
InChIKeyXZROLNDKSXMSBY-UHFFFAOYSA-N
XLogP4.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol?
The IUPAC name of 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol (CID 57156280) is 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol.
What is the SMILES notation for 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol?
The canonical SMILES for 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol is CC(O)(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol?
The InChIKey is XZROLNDKSXMSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-21(23,14-17-22-15-6-3-7-16-22)20-12-10-19(11-13-20)18-8-4-2-5-9-18/h2,4-5,8-13,23H,3,6-7,14-17H2,1H3.
What are the key properties of 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol?
2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol has a molecular weight of 309.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-2-ol is sourced from PubChem (CID 57156280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).