4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine

C28H30FN — CID 18794493

IUPAC4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine
SMILESFc1ccc(Cc2ccc(C3CCN(CC4(c5ccccc5)CC4)CC3)cc2)cc1
InChIInChI=1S/C28H30FN/c29-27-12-8-23(9-13-27)20-22-6-10-24(11-7-22)25-14-18-30(19-15-25)21-28(16-17-28)26-4-2-1-3-5-26/h1-13,25H,14-21H2
InChIKeyWRIKVJGJNXDBEN-UHFFFAOYSA-N
MW399.55 g/mol
LogP6.33
Rot. Bonds6

About 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine

4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine (PubChem CID 18794493) has the molecular formula C28H30FN and a molecular weight of 399.55 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine
PubChem CID18794493
Molecular FormulaC28H30FN
Molecular Weight399.55 g/mol
Exact Mass399.24
IUPAC Name4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine
SMILESFc1ccc(Cc2ccc(C3CCN(CC4(c5ccccc5)CC4)CC3)cc2)cc1
InChIInChI=1S/C28H30FN/c29-27-12-8-23(9-13-27)20-22-6-10-24(11-7-22)25-14-18-30(19-15-25)21-28(16-17-28)26-4-2-1-3-5-26/h1-13,25H,14-21H2
InChIKeyWRIKVJGJNXDBEN-UHFFFAOYSA-N
XLogP6.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.55
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine (CID 18794493) is 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine is Fc1ccc(Cc2ccc(C3CCN(CC4(c5ccccc5)CC4)CC3)cc2)cc1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine?
The InChIKey is WRIKVJGJNXDBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN/c29-27-12-8-23(9-13-27)20-22-6-10-24(11-7-22)25-14-18-30(19-15-25)21-28(16-17-28)26-4-2-1-3-5-26/h1-13,25H,14-21H2.
What are the key properties of 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine?
4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine has a molecular weight of 399.55 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methyl]phenyl]-1-[(1-phenylcyclopropyl)methyl]piperidine is sourced from PubChem (CID 18794493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).