4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine

C22H28FN — CID 10404071

IUPAC4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine
SMILESFc1ccc(CC2CCN(CCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28FN/c23-22-11-9-20(10-12-22)18-21-13-16-24(17-14-21)15-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,9-12,21H,4-5,8,13-18H2
InChIKeyIRGZWLDYGVCLNT-UHFFFAOYSA-N
MW325.47 g/mol
LogP5.10
Rot. Bonds7

About 4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine

4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine (PubChem CID 10404071) has the molecular formula C22H28FN and a molecular weight of 325.47 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine
PubChem CID10404071
Molecular FormulaC22H28FN
Molecular Weight325.47 g/mol
Exact Mass325.22
IUPAC Name4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine
SMILESFc1ccc(CC2CCN(CCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28FN/c23-22-11-9-20(10-12-22)18-21-13-16-24(17-14-21)15-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,9-12,21H,4-5,8,13-18H2
InChIKeyIRGZWLDYGVCLNT-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.47
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 2913
CID 2913
CID 91694
CID 91694
CID 13770
CID 13770
CID 6126
CID 6126
CID 68778
CID 68778
CID 3678
CID 3678
CID 197785
CID 197785
CID 9513
CID 9513
CID 6127
CID 6127
CID 22262
CID 22262
CID 88278
CID 88278
CID 30966
CID 30966

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine (CID 10404071) is 4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine is Fc1ccc(CC2CCN(CCCCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine?
The InChIKey is IRGZWLDYGVCLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN/c23-22-11-9-20(10-12-22)18-21-13-16-24(17-14-21)15-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,9-12,21H,4-5,8,13-18H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine?
4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine has a molecular weight of 325.47 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine is sourced from PubChem (CID 10404071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).