4-benzyl-1-(3-phenylpropyl)piperidine

C21H27N — CID 23294399

IUPAC4-benzyl-1-(3-phenylpropyl)piperidine
SMILESc1ccc(CCCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N/c1-3-8-19(9-4-1)12-7-15-22-16-13-21(14-17-22)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2
InChIKeyOEOKSYGSLJBPFM-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.57
Rot. Bonds6

About 4-benzyl-1-(3-phenylpropyl)piperidine

4-benzyl-1-(3-phenylpropyl)piperidine (PubChem CID 23294399) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-benzyl-1-(3-phenylpropyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(3-phenylpropyl)piperidine
PubChem CID23294399
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name4-benzyl-1-(3-phenylpropyl)piperidine
SMILESc1ccc(CCCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N/c1-3-8-19(9-4-1)12-7-15-22-16-13-21(14-17-22)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2
InChIKeyOEOKSYGSLJBPFM-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(3-phenylpropyl)piperidine?
The IUPAC name of 4-benzyl-1-(3-phenylpropyl)piperidine (CID 23294399) is 4-benzyl-1-(3-phenylpropyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(3-phenylpropyl)piperidine?
The canonical SMILES for 4-benzyl-1-(3-phenylpropyl)piperidine is c1ccc(CCCN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-(3-phenylpropyl)piperidine?
The InChIKey is OEOKSYGSLJBPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-3-8-19(9-4-1)12-7-15-22-16-13-21(14-17-22)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2.
What are the key properties of 4-benzyl-1-(3-phenylpropyl)piperidine?
4-benzyl-1-(3-phenylpropyl)piperidine has a molecular weight of 293.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(3-phenylpropyl)piperidine is sourced from PubChem (CID 23294399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).