1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine

C11H21F3N2 — CID 135176708

IUPAC1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine
SMILESCC(C)N1CCN(C(C)C)C(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-8(2)15-5-6-16(9(3)4)10(7-15)11(12,13)14/h8-10H,5-7H2,1-4H3
InChIKeyYPRWOGMTQKVVHY-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.35
Rot. Bonds2

About 1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine

1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine (PubChem CID 135176708) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine
PubChem CID135176708
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine
SMILESCC(C)N1CCN(C(C)C)C(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2/c1-8(2)15-5-6-16(9(3)4)10(7-15)11(12,13)14/h8-10H,5-7H2,1-4H3
InChIKeyYPRWOGMTQKVVHY-UHFFFAOYSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

1,4-Piperazinediethanamine, alpha,beta'-dimethyl-
CID 3086046
1-Propan-2-yl-4-(trifluoromethyl)piperazine;dihydrochloride
CID 20283037
1-Propan-2-yl-4-(trifluoromethyl)piperazine
CID 20283038
1-(3-Fluoropropyl)-4-methylpiperazine
CID 20649680
1-(4-Fluorobutyl)-4-methylpiperazine
CID 20649682
N-[2-[butan-2-yl(propyl)amino]ethyl]-N'-(1,1-difluoroethyl)-1,1-difluoro-N,N'-bis(1,1,2,2,2-pentafluoroethyl)ethane-1,2-diamine
CID 21026477
1-(2,2-Difluoroethyl)-4-(2-methylpropyl)piperazine
CID 48942244
Fluoromethane;1-methyl-4-(1,1,2-trifluoroethyl)piperazine
CID 54384968
(2R,5S)-2,5-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 57519198
1-Methyl-4-(3,3,3-trifluoropropyl)piperazine
CID 57639720
4-Ethyl-1-methyl-1-(1,1,2,2-tetrafluoroethyl)piperazin-1-ium
CID 57967219
1-Propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
CID 58029464

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine (CID 135176708) is 1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine is CC(C)N1CCN(C(C)C)C(C(F)(F)F)C1.
What is the InChIKey of 1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine?
The InChIKey is YPRWOGMTQKVVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-8(2)15-5-6-16(9(3)4)10(7-15)11(12,13)14/h8-10H,5-7H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine?
1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine has a molecular weight of 238.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 135176708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).