1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine

C9H17F3N2 — CID 58029464

IUPAC1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-8(2)14-5-3-13(4-6-14)7-9(10,11)12/h8H,3-7H2,1-2H3
InChIKeyBNHBHHUVPPVWGZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.57
Rot. Bonds2

About 1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine

1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 58029464) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID58029464
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
SMILESCC(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2/c1-8(2)14-5-3-13(4-6-14)7-9(10,11)12/h8H,3-7H2,1-2H3
InChIKeyBNHBHHUVPPVWGZ-UHFFFAOYSA-N
XLogP1.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine (CID 58029464) is 1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine is CC(C)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is BNHBHHUVPPVWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-8(2)14-5-3-13(4-6-14)7-9(10,11)12/h8H,3-7H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine?
1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 210.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 58029464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).