1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine

C29H30F5NO — CID 141081623

IUPAC1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine
SMILESFc1cccc(C(CCCCN2CCC(c3ccccc3)CC2)Oc2cc(C(F)(F)F)ccc2F)c1
InChIInChI=1S/C29H30F5NO/c30-25-10-6-9-23(19-25)27(36-28-20-24(29(32,33)34)12-13-26(28)31)11-4-5-16-35-17-14-22(15-18-35)21-7-2-1-3-8-21/h1-3,6-10,12-13,19-20,22,27H,4-5,11,14-18H2
InChIKeyOCRUYTWISKQIFL-UHFFFAOYSA-N
MW503.56 g/mol
LogP8.15
Rot. Bonds9

About 1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine

1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine (PubChem CID 141081623) has the molecular formula C29H30F5NO and a molecular weight of 503.56 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine
PubChem CID141081623
Molecular FormulaC29H30F5NO
Molecular Weight503.56 g/mol
Exact Mass503.22
IUPAC Name1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine
SMILESFc1cccc(C(CCCCN2CCC(c3ccccc3)CC2)Oc2cc(C(F)(F)F)ccc2F)c1
InChIInChI=1S/C29H30F5NO/c30-25-10-6-9-23(19-25)27(36-28-20-24(29(32,33)34)12-13-26(28)31)11-4-5-16-35-17-14-22(15-18-35)21-7-2-1-3-8-21/h1-3,6-10,12-13,19-20,22,27H,4-5,11,14-18H2
InChIKeyOCRUYTWISKQIFL-UHFFFAOYSA-N
XLogP8.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.56
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-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

Related Compounds

N-[3-[1-[5-(3-chlorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049052
6-fluoro-3-[1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]-1,2-benzoxazole;hydrochloride
CID 56598994
N-[3-[1-[6-(4-fluorophenoxy)-6-phenylhexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048856
N-[3-[1-[3-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048940
4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine
CID 42867737
3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole
CID 70542429
4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine
CID 162576798
N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide
CID 159064661
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971
3-[1-[2-[2-[3-(methylamino)-1-phenylpropoxy]anilino]ethyl]piperidin-4-yl]phenol
CID 146308929
N-[3-[1-[6-(2-fluorophenyl)-6-(2-methoxyphenoxy)hexyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049398
1-[3-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 42867935

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine?
The IUPAC name of 1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine (CID 141081623) is 1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine.
What is the SMILES notation for 1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine?
The canonical SMILES for 1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine is Fc1cccc(C(CCCCN2CCC(c3ccccc3)CC2)Oc2cc(C(F)(F)F)ccc2F)c1.
What is the InChIKey of 1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine?
The InChIKey is OCRUYTWISKQIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F5NO/c30-25-10-6-9-23(19-25)27(36-28-20-24(29(32,33)34)12-13-26(28)31)11-4-5-16-35-17-14-22(15-18-35)21-7-2-1-3-8-21/h1-3,6-10,12-13,19-20,22,27H,4-5,11,14-18H2.
What are the key properties of 1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine?
1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine has a molecular weight of 503.56 g/mol, XLogP of 8.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine is sourced from PubChem (CID 141081623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).