[1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine

C13H25F3N4 — CID 81467368

IUPAC[1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)(N2CCN(CC(F)(F)F)CC2)CN1C
InChIInChI=1S/C13H25F3N4/c1-11-7-12(8-17,9-18(11)2)20-5-3-19(4-6-20)10-13(14,15)16/h11H,3-10,17H2,1-2H3
InChIKeyCZNJJZUZBVTPBK-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.59
Rot. Bonds3

About [1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine

[1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine (PubChem CID 81467368) has the molecular formula C13H25F3N4 and a molecular weight of 294.37 g/mol. Its IUPAC name is [1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
PubChem CID81467368
Molecular FormulaC13H25F3N4
Molecular Weight294.37 g/mol
Exact Mass294.20
IUPAC Name[1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)(N2CCN(CC(F)(F)F)CC2)CN1C
InChIInChI=1S/C13H25F3N4/c1-11-7-12(8-17,9-18(11)2)20-5-3-19(4-6-20)10-13(14,15)16/h11H,3-10,17H2,1-2H3
InChIKeyCZNJJZUZBVTPBK-UHFFFAOYSA-N
XLogP0.59
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine (CID 81467368) is [1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine is CC1CC(CN)(N2CCN(CC(F)(F)F)CC2)CN1C.
What is the InChIKey of [1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is CZNJJZUZBVTPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N4/c1-11-7-12(8-17,9-18(11)2)20-5-3-19(4-6-20)10-13(14,15)16/h11H,3-10,17H2,1-2H3.
What are the key properties of [1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine?
[1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 294.37 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 81467368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).