4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine

C27H28FN — CID 18794500

IUPAC4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine
SMILESFc1ccc(Cc2ccccc2C2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C27H28FN/c28-26-14-12-23(13-15-26)21-25-10-4-5-11-27(25)24-16-19-29(20-17-24)18-6-9-22-7-2-1-3-8-22/h1-15,24H,16-21H2/b9-6+
InChIKeyHTHAJUMUYJDLLZ-RMKNXTFCSA-N
MW385.53 g/mol
LogP6.31
Rot. Bonds6

About 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine

4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine (PubChem CID 18794500) has the molecular formula C27H28FN and a molecular weight of 385.53 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine
PubChem CID18794500
Molecular FormulaC27H28FN
Molecular Weight385.53 g/mol
Exact Mass385.22
IUPAC Name4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine
SMILESFc1ccc(Cc2ccccc2C2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C27H28FN/c28-26-14-12-23(13-15-26)21-25-10-4-5-11-27(25)24-16-19-29(20-17-24)18-6-9-22-7-2-1-3-8-22/h1-15,24H,16-21H2/b9-6+
InChIKeyHTHAJUMUYJDLLZ-RMKNXTFCSA-N
XLogP6.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.53
LogP ≤ 56.31
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-[(E)-3-phenylprop-2-enyl]piperidine?
The IUPAC name of 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine (CID 18794500) is 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine is Fc1ccc(Cc2ccccc2C2CCN(C/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine?
The InChIKey is HTHAJUMUYJDLLZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C27H28FN/c28-26-14-12-23(13-15-26)21-25-10-4-5-11-27(25)24-16-19-29(20-17-24)18-6-9-22-7-2-1-3-8-22/h1-15,24H,16-21H2/b9-6+.
What are the key properties of 4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine?
4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[(E)-3-phenylprop-2-enyl]piperidine has a molecular weight of 385.53 g/mol, XLogP of 6.31, 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-[(E)-3-phenylprop-2-enyl]piperidine is sourced from PubChem (CID 18794500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).