4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine

C22H24F3NO — CID 162576798

IUPAC4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine
SMILESFC(F)(F)c1cc(OCCCCN2CCC(c3ccccc3)CC2)c2cc1-2
InChIInChI=1S/C22H24F3NO/c23-22(24,25)20-15-21(19-14-18(19)20)27-13-5-4-10-26-11-8-17(9-12-26)16-6-2-1-3-7-16/h1-3,6-7,14-15,17H,4-5,8-13H2
InChIKeyULCJBLNIPPXVAU-UHFFFAOYSA-N
MW375.43 g/mol
LogP5.72
Rot. Bonds7

About 4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine

4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine (PubChem CID 162576798) has the molecular formula C22H24F3NO and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine.

Molecular Properties

Compound Name4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine
PubChem CID162576798
Molecular FormulaC22H24F3NO
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine
SMILESFC(F)(F)c1cc(OCCCCN2CCC(c3ccccc3)CC2)c2cc1-2
InChIInChI=1S/C22H24F3NO/c23-22(24,25)20-15-21(19-14-18(19)20)27-13-5-4-10-26-11-8-17(9-12-26)16-6-2-1-3-7-16/h1-3,6-7,14-15,17H,4-5,8-13H2
InChIKeyULCJBLNIPPXVAU-UHFFFAOYSA-N
XLogP5.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine with MolForge

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Related Compounds

1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine
CID 57233729
4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
CID 141379171
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
CID 139776325
1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-4-ol
CID 110910733
2-[4-[4-[[4-phenyl-3-(trifluoromethyl)phenoxy]methyl]phenyl]piperidin-1-yl]ethyl dihydrogen phosphate
CID 11613490
3-[4-(4-phenylpiperidin-1-yl)butyl]-5-(trifluoromethyl)-1H-indole
CID 70542429
1-[5-(3-fluorophenyl)-5-[2-fluoro-5-(trifluoromethyl)phenoxy]pentyl]-4-phenylpiperidine
CID 141081623
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide
CID 159064661
1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
CID 2888107
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
2-benzyl-1-[4-[2-(trifluoromethyl)phenoxy]butyl]piperidine;hydrobromide
CID 18621592

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine?
The IUPAC name of 4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine (CID 162576798) is 4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine.
What is the SMILES notation for 4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine?
The canonical SMILES for 4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine is FC(F)(F)c1cc(OCCCCN2CCC(c3ccccc3)CC2)c2cc1-2.
What is the InChIKey of 4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine?
The InChIKey is ULCJBLNIPPXVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO/c23-22(24,25)20-15-21(19-14-18(19)20)27-13-5-4-10-26-11-8-17(9-12-26)16-6-2-1-3-7-16/h1-3,6-7,14-15,17H,4-5,8-13H2.
What are the key properties of 4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine?
4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine has a molecular weight of 375.43 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-[[4-(trifluoromethyl)-2-bicyclo[3.1.0]hexa-1,3,5-trienyl]oxy]butyl]piperidine is sourced from PubChem (CID 162576798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).