4-phenyl-1-(3-phenylbutyl)piperidine

C21H27N — CID 54520789

IUPAC4-phenyl-1-(3-phenylbutyl)piperidine
SMILESCC(CCN1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H27N/c1-18(19-8-4-2-5-9-19)12-15-22-16-13-21(14-17-22)20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3
InChIKeyUEFZBCRTYBLLPV-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.06
Rot. Bonds5

About 4-phenyl-1-(3-phenylbutyl)piperidine

4-phenyl-1-(3-phenylbutyl)piperidine (PubChem CID 54520789) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-phenyl-1-(3-phenylbutyl)piperidine.

Molecular Properties

Compound Name4-phenyl-1-(3-phenylbutyl)piperidine
PubChem CID54520789
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name4-phenyl-1-(3-phenylbutyl)piperidine
SMILESCC(CCN1CCC(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H27N/c1-18(19-8-4-2-5-9-19)12-15-22-16-13-21(14-17-22)20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3
InChIKeyUEFZBCRTYBLLPV-UHFFFAOYSA-N
XLogP5.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide
CID 141081664
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
1-phenyl-4-[(3R)-3-phenylbutyl]piperazine
CID 7047121
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
(3S)-1-[(3R)-3-phenylbutyl]piperidin-3-amine
CID 129366524
N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine
CID 89147972
2-[ethyl-[1-(3-phenylbutyl)piperidin-4-yl]amino]acetic acid
CID 122043222
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
benzyl 1-(3-phenylbutyl)piperidine-4-carboxylate
CID 142003970
(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 95299881
4-methyl-1-[(3S)-3-phenylbutyl]-1,4-diazepan-5-one
CID 42464655
1-(3-phenylbutyl)-3-(1H-pyrazol-4-yl)piperidine
CID 86806813

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(3-phenylbutyl)piperidine?
The IUPAC name of 4-phenyl-1-(3-phenylbutyl)piperidine (CID 54520789) is 4-phenyl-1-(3-phenylbutyl)piperidine.
What is the SMILES notation for 4-phenyl-1-(3-phenylbutyl)piperidine?
The canonical SMILES for 4-phenyl-1-(3-phenylbutyl)piperidine is CC(CCN1CCC(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 4-phenyl-1-(3-phenylbutyl)piperidine?
The InChIKey is UEFZBCRTYBLLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-18(19-8-4-2-5-9-19)12-15-22-16-13-21(14-17-22)20-10-6-3-7-11-20/h2-11,18,21H,12-17H2,1H3.
What are the key properties of 4-phenyl-1-(3-phenylbutyl)piperidine?
4-phenyl-1-(3-phenylbutyl)piperidine has a molecular weight of 293.45 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(3-phenylbutyl)piperidine is sourced from PubChem (CID 54520789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).