1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine

C21H29F4N — CID 142475171

IUPAC1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C21H29F4N/c1-15(2)13-19(26-11-9-17(10-12-26)21(23,24)25)14-20(3,4)16-5-7-18(22)8-6-16/h5-8,13,17,19H,9-12,14H2,1-4H3
InChIKeyILIUYSODVLEVCT-UHFFFAOYSA-N
MW371.46 g/mol
LogP6.10
Rot. Bonds5

About 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine

1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine (PubChem CID 142475171) has the molecular formula C21H29F4N and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine
PubChem CID142475171
Molecular FormulaC21H29F4N
Molecular Weight371.46 g/mol
Exact Mass371.22
IUPAC Name1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine
SMILESCC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C21H29F4N/c1-15(2)13-19(26-11-9-17(10-12-26)21(23,24)25)14-20(3,4)16-5-7-18(22)8-6-16/h5-8,13,17,19H,9-12,14H2,1-4H3
InChIKeyILIUYSODVLEVCT-UHFFFAOYSA-N
XLogP6.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.46
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Fenpropidin
CID 91694
Budipine
CID 68778
Diisopromine
CID 22262
Emepronium
CID 34055
Prodipine
CID 65775
4-Methyl-1-(5-phenyl-pentyl)-piperidine
CID 9992101
4-Phenyl-1-propylpiperidine
CID 203697
1-(3-Phenylbutyl)piperidine
CID 11218224
1-Propyl-4-(3-trifluoromethyl-phenyl)-piperidine
CID 22397830
N,1-dimethyl-N-(2-phenylpropyl)-4-piperidinamine
CID 2845747
2-(1,2,5-Trimethyl-4-phenyl-piperidin-4-yl)-ethylamine
CID 16682051
3,3-Dimethyl-1-(5-phenyl-pentyl)-piperidine
CID 10637652

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine (CID 142475171) is 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine is CC(C)=CC(CC(C)(C)c1ccc(F)cc1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine?
The InChIKey is ILIUYSODVLEVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F4N/c1-15(2)13-19(26-11-9-17(10-12-26)21(23,24)25)14-20(3,4)16-5-7-18(22)8-6-16/h5-8,13,17,19H,9-12,14H2,1-4H3.
What are the key properties of 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine?
1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine has a molecular weight of 371.46 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-2,6-dimethylhept-2-en-4-yl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 142475171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).