1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine

C34H36F7N — CID 22293578

IUPAC1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CCN(C3CCC(CCCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C34H36F7N/c35-30-10-8-25(9-11-30)26-14-19-42(20-15-26)31-12-17-32(18-13-31,27-6-2-1-3-7-27)16-4-5-24-21-28(33(36,37)38)23-29(22-24)34(39,40)41/h1-3,6-11,21-23,26,31H,4-5,12-20H2
InChIKeyQDZKMVDHAKNAHI-UHFFFAOYSA-N
MW591.66 g/mol
LogP9.95
Rot. Bonds7

About 1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine

1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine (PubChem CID 22293578) has the molecular formula C34H36F7N and a molecular weight of 591.66 g/mol. Its IUPAC name is 1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine
PubChem CID22293578
Molecular FormulaC34H36F7N
Molecular Weight591.66 g/mol
Exact Mass591.27
IUPAC Name1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine
SMILESFc1ccc(C2CCN(C3CCC(CCCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C34H36F7N/c35-30-10-8-25(9-11-30)26-14-19-42(20-15-26)31-12-17-32(18-13-31,27-6-2-1-3-7-27)16-4-5-24-21-28(33(36,37)38)23-29(22-24)34(39,40)41/h1-3,6-11,21-23,26,31H,4-5,12-20H2
InChIKeyQDZKMVDHAKNAHI-UHFFFAOYSA-N
XLogP9.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.66
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine with MolForge

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Related Compounds

(3,5-Bis-trifluoromethyl-benzyl)-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexylmethyl}-amine
CID 22293476
4-[Bis(4-fluorophenyl)methyl]-1-(4-phenylbutyl)piperidine
CID 15093875
1-[4,4-Bis(4-fluorophenyl)butyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10741629
N-[2-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-[4-(4-fluorophenyl)piperidin-1-yl]-1-phenylcyclohexan-1-amine
CID 21955206
1-(4-(3-(Trifluoromethyl)phenyl)cyclohexyl)piperidine--hydrogen chloride (1/1)
CID 3048087
(3R,5R)-8-(3,3-diphenylpropyl)-2,3-bis(4-fluorophenyl)-8-azabicyclo[3.2.1]octane
CID 46878017
cis-1-Cyclohexyl-4-[(2,6-difluorophenyl)cyclohexyl]piperazine
CID 52913897
N-[1-(1,4-dihydronaphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]propan-1-amine
CID 88873048
(3E)-2-benzhydryl-3-[2-[3,5-bis(trifluoromethyl)phenyl]-2-fluoroethylidene]-1-azabicyclo[2.2.2]octane
CID 44210960
(3E)-2-benzhydryl-3-[2-[3-(trifluoromethyl)phenyl]ethylidene]-1-azabicyclo[2.2.2]octane
CID 44210961
4-benzhydrylidene-1-[(Z)-4-(4-fluorophenyl)-4-phenylbut-3-enyl]piperidine
CID 10140278
1'-[4,4-Bis(4-fluorophenyl)butyl]spiro[indene-1,4'-piperidine]
CID 10202929

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine?
The IUPAC name of 1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine (CID 22293578) is 1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine.
What is the SMILES notation for 1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine?
The canonical SMILES for 1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine is Fc1ccc(C2CCN(C3CCC(CCCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)(c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine?
The InChIKey is QDZKMVDHAKNAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F7N/c35-30-10-8-25(9-11-30)26-14-19-42(20-15-26)31-12-17-32(18-13-31,27-6-2-1-3-7-27)16-4-5-24-21-28(33(36,37)38)23-29(22-24)34(39,40)41/h1-3,6-11,21-23,26,31H,4-5,12-20H2.
What are the key properties of 1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine?
1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine has a molecular weight of 591.66 g/mol, XLogP of 9.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[3,5-bis(trifluoromethyl)phenyl]propyl]-4-phenylcyclohexyl]-4-(4-fluorophenyl)piperidine is sourced from PubChem (CID 22293578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).