4-(4-phenylphenyl)-3-propylpiperidine

C20H25N — CID 79310826

IUPAC4-(4-phenylphenyl)-3-propylpiperidine
SMILESCCCC1CNCCC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25N/c1-2-6-19-15-21-14-13-20(19)18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-12,19-21H,2,6,13-15H2,1H3
InChIKeyKAHWXFAHMKZHAM-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.85
Rot. Bonds4

About 4-(4-phenylphenyl)-3-propylpiperidine

4-(4-phenylphenyl)-3-propylpiperidine (PubChem CID 79310826) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-3-propylpiperidine.

Molecular Properties

Compound Name4-(4-phenylphenyl)-3-propylpiperidine
PubChem CID79310826
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name4-(4-phenylphenyl)-3-propylpiperidine
SMILESCCCC1CNCCC1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25N/c1-2-6-19-15-21-14-13-20(19)18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-12,19-21H,2,6,13-15H2,1H3
InChIKeyKAHWXFAHMKZHAM-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-3-propylpiperidine?
The IUPAC name of 4-(4-phenylphenyl)-3-propylpiperidine (CID 79310826) is 4-(4-phenylphenyl)-3-propylpiperidine.
What is the SMILES notation for 4-(4-phenylphenyl)-3-propylpiperidine?
The canonical SMILES for 4-(4-phenylphenyl)-3-propylpiperidine is CCCC1CNCCC1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)-3-propylpiperidine?
The InChIKey is KAHWXFAHMKZHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-2-6-19-15-21-14-13-20(19)18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-12,19-21H,2,6,13-15H2,1H3.
What are the key properties of 4-(4-phenylphenyl)-3-propylpiperidine?
4-(4-phenylphenyl)-3-propylpiperidine has a molecular weight of 279.43 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-3-propylpiperidine is sourced from PubChem (CID 79310826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).