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

C14H26F3N3 — CID 80706156

IUPAC[3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
SMILESCC1(C)CCC(CN)(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C14H26F3N3/c1-12(2)3-4-13(9-12,10-18)20-7-5-19(6-8-20)11-14(15,16)17/h3-11,18H2,1-2H3
InChIKeyOUOQOOQSGLUBAM-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.07
Rot. Bonds3

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

[3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine (PubChem CID 80706156) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is [3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
PubChem CID80706156
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC Name[3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
SMILESCC1(C)CCC(CN)(N2CCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C14H26F3N3/c1-12(2)3-4-13(9-12,10-18)20-7-5-19(6-8-20)11-14(15,16)17/h3-11,18H2,1-2H3
InChIKeyOUOQOOQSGLUBAM-UHFFFAOYSA-N
XLogP2.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The IUPAC name of [3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine (CID 80706156) is [3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine.
What is the SMILES notation for [3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The canonical SMILES for [3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine is CC1(C)CCC(CN)(N2CCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of [3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The InChIKey is OUOQOOQSGLUBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3/c1-12(2)3-4-13(9-12,10-18)20-7-5-19(6-8-20)11-14(15,16)17/h3-11,18H2,1-2H3.
What are the key properties of [3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
[3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine has a molecular weight of 293.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine is sourced from PubChem (CID 80706156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).