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

C21H27NO — CID 91884637

IUPAC2-(4-phenylphenyl)-4-piperidin-1-ylbutan-1-ol
SMILESOCC(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H27NO/c23-17-21(13-16-22-14-5-2-6-15-22)20-11-9-19(10-12-20)18-7-3-1-4-8-18/h1,3-4,7-12,21,23H,2,5-6,13-17H2
InChIKeyDUVDSTKOGVWACP-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.31
Rot. Bonds6

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

2-(4-phenylphenyl)-4-piperidin-1-ylbutan-1-ol (PubChem CID 91884637) 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-1-ol.

Molecular Properties

Compound Name2-(4-phenylphenyl)-4-piperidin-1-ylbutan-1-ol
PubChem CID91884637
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2-(4-phenylphenyl)-4-piperidin-1-ylbutan-1-ol
SMILESOCC(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H27NO/c23-17-21(13-16-22-14-5-2-6-15-22)20-11-9-19(10-12-20)18-7-3-1-4-8-18/h1,3-4,7-12,21,23H,2,5-6,13-17H2
InChIKeyDUVDSTKOGVWACP-UHFFFAOYSA-N
XLogP4.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.31
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-1-ol?
The IUPAC name of 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-1-ol (CID 91884637) is 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-1-ol.
What is the SMILES notation for 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-1-ol?
The canonical SMILES for 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-1-ol is OCC(CCN1CCCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-1-ol?
The InChIKey is DUVDSTKOGVWACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c23-17-21(13-16-22-14-5-2-6-15-22)20-11-9-19(10-12-20)18-7-3-1-4-8-18/h1,3-4,7-12,21,23H,2,5-6,13-17H2.
What are the key properties of 2-(4-phenylphenyl)-4-piperidin-1-ylbutan-1-ol?
2-(4-phenylphenyl)-4-piperidin-1-ylbutan-1-ol has a molecular weight of 309.45 g/mol, XLogP of 4.31, 6 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-1-ol is sourced from PubChem (CID 91884637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).