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

C15H28F3N3 — CID 106662971

IUPAC[2,4,4-trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
SMILESCC1CC(C)(C)CC1(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H28F3N3/c1-12-8-13(2,3)9-14(12,10-19)21-6-4-20(5-7-21)11-15(16,17)18/h12H,4-11,19H2,1-3H3
InChIKeySGLGBPRJNIJGNN-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.32
Rot. Bonds3

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

[2,4,4-trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine (PubChem CID 106662971) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is [2,4,4-trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2,4,4-trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
PubChem CID106662971
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC Name[2,4,4-trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
SMILESCC1CC(C)(C)CC1(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H28F3N3/c1-12-8-13(2,3)9-14(12,10-19)21-6-4-20(5-7-21)11-15(16,17)18/h12H,4-11,19H2,1-3H3
InChIKeySGLGBPRJNIJGNN-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,4,4-trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The IUPAC name of [2,4,4-trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine (CID 106662971) is [2,4,4-trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine.
What is the SMILES notation for [2,4,4-trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The canonical SMILES for [2,4,4-trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine is CC1CC(C)(C)CC1(CN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [2,4,4-trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The InChIKey is SGLGBPRJNIJGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c1-12-8-13(2,3)9-14(12,10-19)21-6-4-20(5-7-21)11-15(16,17)18/h12H,4-11,19H2,1-3H3.
What are the key properties of [2,4,4-trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
[2,4,4-trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine has a molecular weight of 307.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,4-trimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine is sourced from PubChem (CID 106662971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).