1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine

C31H32F3N3O — CID 67436582

IUPAC1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine
SMILESCN1CCC(CCCOc2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)[nH]3)c(-c3ccccc3)c2)CC1
InChIInChI=1S/C31H32F3N3O/c1-37-18-16-22(17-19-37)9-8-20-38-25-14-15-26(27(21-25)23-10-4-2-5-11-23)30-35-28(24-12-6-3-7-13-24)29(36-30)31(32,33)34/h2-7,10-15,21-22H,8-9,16-20H2,1H3,(H,35,36)
InChIKeyOAUMJGMZFWWRRI-UHFFFAOYSA-N
MW519.61 g/mol
LogP7.93
Rot. Bonds8

About 1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine

1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine (PubChem CID 67436582) has the molecular formula C31H32F3N3O and a molecular weight of 519.61 g/mol. Its IUPAC name is 1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine
PubChem CID67436582
Molecular FormulaC31H32F3N3O
Molecular Weight519.61 g/mol
Exact Mass519.25
IUPAC Name1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine
SMILESCN1CCC(CCCOc2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)[nH]3)c(-c3ccccc3)c2)CC1
InChIInChI=1S/C31H32F3N3O/c1-37-18-16-22(17-19-37)9-8-20-38-25-14-15-26(27(21-25)23-10-4-2-5-11-23)30-35-28(24-12-6-3-7-13-24)29(36-30)31(32,33)34/h2-7,10-15,21-22H,8-9,16-20H2,1H3,(H,35,36)
InChIKeyOAUMJGMZFWWRRI-UHFFFAOYSA-N
XLogP7.93
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.61
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine
CID 11619174
1-methyl-4-[2-(3-methylphenoxy)ethyl]piperidine
CID 58946190
2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-6-phenyl-1H-benzimidazole
CID 141392150
4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine
CID 91255595
5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenylpyrimidin-2-amine
CID 174567293
2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole
CID 42640237
4-dodecoxy-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]benzoic acid
CID 172765540
2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]-4-undecoxybenzoic acid
CID 172773419
2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]-4-propoxybenzoic acid
CID 172812929
5-bromo-2-[3-(1-methylpiperidin-4-yl)propoxy]pyridine
CID 57434768
[2-fluoro-4-(3-piperidin-4-ylpropoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71219283
4-decoxy-2-[4-[3-(4-propylcyclohexyl)propoxy]phenyl]benzoic acid
CID 172861784

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine?
The IUPAC name of 1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine (CID 67436582) is 1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine.
What is the SMILES notation for 1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine?
The canonical SMILES for 1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine is CN1CCC(CCCOc2ccc(-c3nc(-c4ccccc4)c(C(F)(F)F)[nH]3)c(-c3ccccc3)c2)CC1.
What is the InChIKey of 1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine?
The InChIKey is OAUMJGMZFWWRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N3O/c1-37-18-16-22(17-19-37)9-8-20-38-25-14-15-26(27(21-25)23-10-4-2-5-11-23)30-35-28(24-12-6-3-7-13-24)29(36-30)31(32,33)34/h2-7,10-15,21-22H,8-9,16-20H2,1H3,(H,35,36).
What are the key properties of 1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine?
1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine has a molecular weight of 519.61 g/mol, XLogP of 7.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine is sourced from PubChem (CID 67436582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).