1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine

C13H24F3N3 — CID 115101290

IUPAC1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine
SMILESCC(C)N1CCCCC1N1CCNCC1C(F)(F)F
InChIInChI=1S/C13H24F3N3/c1-10(2)18-7-4-3-5-12(18)19-8-6-17-9-11(19)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyDEAUKAGDDZQLEW-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.04
Rot. Bonds2

About 1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine

1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine (PubChem CID 115101290) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine
PubChem CID115101290
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine
SMILESCC(C)N1CCCCC1N1CCNCC1C(F)(F)F
InChIInChI=1S/C13H24F3N3/c1-10(2)18-7-4-3-5-12(18)19-8-6-17-9-11(19)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyDEAUKAGDDZQLEW-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(trifluoromethyl)piperazine
CID 115101350
1-(1-methylpyrrolidin-2-yl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101666
1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine
CID 115101253
2-[2-(trifluoromethyl)piperazin-1-yl]thiane 1,1-dioxide
CID 115101285
4-(1-propan-2-ylpiperidin-2-yl)-1,4-diazepan-5-one
CID 115100453
(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine
CID 146615150
2-cyclohexyl-1-propan-2-ylpiperazine
CID 64844464
2-tert-butyl-1-cyclopentylpiperazine
CID 82936671
cyclohexyl-[(2S)-2-(trifluoromethyl)piperazin-1-yl]methanone
CID 167011796
(2R)-2-tert-butyl-1-propan-2-ylpiperidine
CID 171587843
(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine
CID 135201778
1-(2-pyrrolidin-1-ylethyl)-2-(trifluoromethyl)piperazine
CID 115101353

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine (CID 115101290) is 1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine is CC(C)N1CCCCC1N1CCNCC1C(F)(F)F.
What is the InChIKey of 1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine?
The InChIKey is DEAUKAGDDZQLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c1-10(2)18-7-4-3-5-12(18)19-8-6-17-9-11(19)13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine?
1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine has a molecular weight of 279.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpiperidin-2-yl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).