4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine

C23H43F3N2 — CID 130219154

IUPAC4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
SMILESCC(CCC(C)(C)C1CCN(CC(F)(F)F)CC1)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C23H43F3N2/c1-18(28-15-10-19(11-16-28)21(2,3)4)7-12-22(5,6)20-8-13-27(14-9-20)17-23(24,25)26/h18-20H,7-17H2,1-6H3
InChIKeyQYDYAJQMUATGAS-UHFFFAOYSA-N
MW404.61 g/mol
LogP6.21
Rot. Bonds6

About 4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine

4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine (PubChem CID 130219154) has the molecular formula C23H43F3N2 and a molecular weight of 404.61 g/mol. Its IUPAC name is 4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
PubChem CID130219154
Molecular FormulaC23H43F3N2
Molecular Weight404.61 g/mol
Exact Mass404.34
IUPAC Name4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine
SMILESCC(CCC(C)(C)C1CCN(CC(F)(F)F)CC1)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C23H43F3N2/c1-18(28-15-10-19(11-16-28)21(2,3)4)7-12-22(5,6)20-8-13-27(14-9-20)17-23(24,25)26/h18-20H,7-17H2,1-6H3
InChIKeyQYDYAJQMUATGAS-UHFFFAOYSA-N
XLogP6.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.61
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine with MolForge

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Related Compounds

1-(4-Tert-butylcyclohexyl)-4,4-difluoropiperidine
CID 58395236
3,9-Dimethyl-2-(trifluoromethyl)-9-azabicyclo[3.3.1]nonane
CID 58479339
(2R)-2-(fluoromethyl)-4-[2-(fluoromethyl)-1-methylpiperidin-4-yl]-1-methylpiperidine
CID 91486563
(2S,5S)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine
CID 124180205
4,4-Difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine
CID 126708550
4,4-Difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine
CID 129226745
4-Tert-butyl-1-[4-[2-(2-cyclopropyl-2-methylpropyl)piperidin-4-yl]-1,1,1-trifluoro-4-methylpentan-2-yl]piperidine
CID 129253189
6-[1-(6-Tert-butyl-6-azaspiro[2.5]octan-2-yl)-2-methylpropan-2-yl]-2,2-difluoro-6-azaspiro[2.5]octane
CID 132234470
4-Tert-butyl-1-[5-[1-(2-fluoroethyl)-4-methylpiperidin-4-yl]-2,5-dimethylhexyl]-4-methylpiperidine
CID 132262451
(2R,5R)-5-(2,2-dimethylpropyl)-1-methyl-2-(trifluoromethyl)piperidine
CID 134170710
(2R,5R)-5-(2,2-dimethylpentyl)-1-methyl-2-(trifluoromethyl)piperidine
CID 134170711
(2S,5S)-5-(2,2-dimethylbutyl)-1-methyl-2-(trifluoromethyl)piperidine
CID 134170751

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine?
The IUPAC name of 4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine (CID 130219154) is 4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine.
What is the SMILES notation for 4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine?
The canonical SMILES for 4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine is CC(CCC(C)(C)C1CCN(CC(F)(F)F)CC1)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine?
The InChIKey is QYDYAJQMUATGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43F3N2/c1-18(28-15-10-19(11-16-28)21(2,3)4)7-12-22(5,6)20-8-13-27(14-9-20)17-23(24,25)26/h18-20H,7-17H2,1-6H3.
What are the key properties of 4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine?
4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine has a molecular weight of 404.61 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[5-methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidine is sourced from PubChem (CID 130219154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).