4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine

C11H21F3N2 — CID 170569304

IUPAC4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine
SMILESCCCN1CCN(C(C)C)CC1C(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-4-5-15-6-7-16(9(2)3)8-10(15)11(12,13)14/h9-10H,4-8H2,1-3H3
InChIKeyDKAMRIYAVAGAFS-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.35
Rot. Bonds3

About 4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine

4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine (PubChem CID 170569304) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine
PubChem CID170569304
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine
SMILESCCCN1CCN(C(C)C)CC1C(F)(F)F
InChIInChI=1S/C11H21F3N2/c1-4-5-15-6-7-16(9(2)3)8-10(15)11(12,13)14/h9-10H,4-8H2,1-3H3
InChIKeyDKAMRIYAVAGAFS-UHFFFAOYSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-propan-2-yl-1-[3-(4-propan-2-yloxycyclohexyl)propyl]-2-(trifluoromethyl)piperazine
CID 170372986
1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 146395138
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
(2R)-2-(difluoromethyl)-1-ethyl-4-propan-2-ylpiperazine;ethane
CID 172575447
2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine
CID 166466780
N-[2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]ethyl]propan-2-amine
CID 170184827
2-(2,2-difluoroethyl)-1-[2-methyl-2-[4-propan-2-yl-3-(trifluoromethyl)piperazin-1-yl]propyl]-4-propan-2-ylpiperazine
CID 146439850
1-propan-2-yl-2-(trifluoromethyl)aziridine
CID 166046410
(2-methyl-4-propan-2-ylpiperazin-1-yl)methanethiol
CID 167106909
6-propyl-3-(1,1,1-trifluoropropan-2-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 169176855
ethane;1-propan-2-yl-3-(trifluoromethyl)piperidine
CID 178173299
(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine
CID 146615150

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine?
The IUPAC name of 4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine (CID 170569304) is 4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine?
The canonical SMILES for 4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine is CCCN1CCN(C(C)C)CC1C(F)(F)F.
What is the InChIKey of 4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine?
The InChIKey is DKAMRIYAVAGAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-4-5-15-6-7-16(9(2)3)8-10(15)11(12,13)14/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine?
4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine has a molecular weight of 238.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-propyl-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 170569304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).