[3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine

C13H24F3N3 — CID 64500750

IUPAC[3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
SMILESCC1CCC(CN)(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H24F3N3/c1-11-2-3-12(8-11,9-17)19-6-4-18(5-7-19)10-13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyQTOPSDOLIGYRGW-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.68
Rot. Bonds3

About [3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine

[3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine (PubChem CID 64500750) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is [3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
PubChem CID64500750
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name[3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
SMILESCC1CCC(CN)(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H24F3N3/c1-11-2-3-12(8-11,9-17)19-6-4-18(5-7-19)10-13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyQTOPSDOLIGYRGW-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The IUPAC name of [3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine (CID 64500750) is [3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine.
What is the SMILES notation for [3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The canonical SMILES for [3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine is CC1CCC(CN)(N2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of [3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The InChIKey is QTOPSDOLIGYRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c1-11-2-3-12(8-11,9-17)19-6-4-18(5-7-19)10-13(14,15)16/h11H,2-10,17H2,1H3.
What are the key properties of [3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
[3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine has a molecular weight of 279.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine is sourced from PubChem (CID 64500750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).