4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine

C28H30FN — CID 22888225

IUPAC4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
SMILESFc1ccc(Cc2ccccc2C2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C28H30FN/c29-26-12-10-21(11-13-26)18-24-8-4-5-9-27(24)23-14-16-30(17-15-23)20-25-19-28(25)22-6-2-1-3-7-22/h1-13,23,25,28H,14-20H2/t25-,28-/m0/s1
InChIKeyWTKHOCPQXMGWCH-LSYYVWMOSA-N
MW399.55 g/mol
LogP6.40
Rot. Bonds6

About 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine

4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine (PubChem CID 22888225) has the molecular formula C28H30FN and a molecular weight of 399.55 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
PubChem CID22888225
Molecular FormulaC28H30FN
Molecular Weight399.55 g/mol
Exact Mass399.24
IUPAC Name4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
SMILESFc1ccc(Cc2ccccc2C2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C28H30FN/c29-26-12-10-21(11-13-26)18-24-8-4-5-9-27(24)23-14-16-30(17-15-23)20-25-19-28(25)22-6-2-1-3-7-22/h1-13,23,25,28H,14-20H2/t25-,28-/m0/s1
InChIKeyWTKHOCPQXMGWCH-LSYYVWMOSA-N
XLogP6.40
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 ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
The IUPAC name of 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine (CID 22888225) is 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine is Fc1ccc(Cc2ccccc2C2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
The InChIKey is WTKHOCPQXMGWCH-LSYYVWMOSA-N. The full InChI is InChI=1S/C28H30FN/c29-26-12-10-21(11-13-26)18-24-8-4-5-9-27(24)23-14-16-30(17-15-23)20-25-19-28(25)22-6-2-1-3-7-22/h1-13,23,25,28H,14-20H2/t25-,28-/m0/s1.
What are the key properties of 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine has a molecular weight of 399.55 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine is sourced from PubChem (CID 22888225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).