4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine

C22H23F6N — CID 10837320

IUPAC4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine
SMILESFC(F)(F)c1cc(CCCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H23F6N/c23-21(24,25)18-13-16(14-19(15-18)22(26,27)28)5-4-8-20(9-11-29-12-10-20)17-6-2-1-3-7-17/h1-3,6-7,13-15,29H,4-5,8-12H2
InChIKeySBIUVIYDWWXAGW-UHFFFAOYSA-N
MW415.42 g/mol
LogP6.37
Rot. Bonds5

About 4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine

4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine (PubChem CID 10837320) has the molecular formula C22H23F6N and a molecular weight of 415.42 g/mol. Its IUPAC name is 4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine
PubChem CID10837320
Molecular FormulaC22H23F6N
Molecular Weight415.42 g/mol
Exact Mass415.17
IUPAC Name4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine
SMILESFC(F)(F)c1cc(CCCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H23F6N/c23-21(24,25)18-13-16(14-19(15-18)22(26,27)28)5-4-8-20(9-11-29-12-10-20)17-6-2-1-3-7-17/h1-3,6-7,13-15,29H,4-5,8-12H2
InChIKeySBIUVIYDWWXAGW-UHFFFAOYSA-N
XLogP6.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.42
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine?
The IUPAC name of 4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine (CID 10837320) is 4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine?
The canonical SMILES for 4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine is FC(F)(F)c1cc(CCCC2(c3ccccc3)CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine?
The InChIKey is SBIUVIYDWWXAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F6N/c23-21(24,25)18-13-16(14-19(15-18)22(26,27)28)5-4-8-20(9-11-29-12-10-20)17-6-2-1-3-7-17/h1-3,6-7,13-15,29H,4-5,8-12H2.
What are the key properties of 4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine?
4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine has a molecular weight of 415.42 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylpiperidine is sourced from PubChem (CID 10837320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).