2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine

C15H24F6N2 — CID 87783430

IUPAC2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine
SMILESFC(F)(F)C(CC1CCCCN1)C(CC1CCCN1)C(F)(F)F
InChIInChI=1S/C15H24F6N2/c16-14(17,18)12(8-10-4-1-2-6-22-10)13(15(19,20)21)9-11-5-3-7-23-11/h10-13,22-23H,1-9H2
InChIKeyNALHQAFYKMDUSX-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.02
Rot. Bonds5

About 2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine

2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine (PubChem CID 87783430) has the molecular formula C15H24F6N2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine.

Molecular Properties

Compound Name2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine
PubChem CID87783430
Molecular FormulaC15H24F6N2
Molecular Weight346.36 g/mol
Exact Mass346.18
IUPAC Name2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine
SMILESFC(F)(F)C(CC1CCCCN1)C(CC1CCCN1)C(F)(F)F
InChIInChI=1S/C15H24F6N2/c16-14(17,18)12(8-10-4-1-2-6-22-10)13(15(19,20)21)9-11-5-3-7-23-11/h10-13,22-23H,1-9H2
InChIKeyNALHQAFYKMDUSX-UHFFFAOYSA-N
XLogP4.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolidine, 3-(4,4-difluorocyclohexyl)-
CID 89500824
3-(2,2,2-Trifluoroethyl)-8-azabicyclo(3.2.1)octane
CID 132327689
3-(2-Fluoroethyl)-8-azabicyclo[3.2.1]octane
CID 132343955
3-(2,2-Difluoroethyl)-8-azabicyclo(3.2.1)octane hydrochloride
CID 137838125
(2S,4S)-4-cyclohexyl-2-(trifluoromethyl)pyrrolidine
CID 138040164
3,3-Bis(trifluoromethyl)-2-azabicyclo[2.2.1]heptane
CID 129815390
4-[1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl]piperidine
CID 66271308
4-[1-(3,3,3-Trifluoropropyl)pyrrolidin-2-yl]piperidine
CID 66274080
2-[2-(Trifluoromethyl)cyclohexyl]piperidine
CID 70329146
2-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octane
CID 83484218
4-[[(2S)-1-fluoropyrrolidin-2-yl]methyl]piperidine
CID 88163118
4-[[(2R)-1-fluoropyrrolidin-2-yl]methyl]piperidine
CID 88163713

Frequently Asked Questions

What is the IUPAC name of 2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine?
The IUPAC name of 2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine (CID 87783430) is 2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine.
What is the SMILES notation for 2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine?
The canonical SMILES for 2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine is FC(F)(F)C(CC1CCCCN1)C(CC1CCCN1)C(F)(F)F.
What is the InChIKey of 2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine?
The InChIKey is NALHQAFYKMDUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6N2/c16-14(17,18)12(8-10-4-1-2-6-22-10)13(15(19,20)21)9-11-5-3-7-23-11/h10-13,22-23H,1-9H2.
What are the key properties of 2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine?
2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine has a molecular weight of 346.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4,4-trifluoro-3-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)butyl]piperidine is sourced from PubChem (CID 87783430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).