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

C13H24F3N3 — CID 65046131

IUPAC[2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
SMILESCC1CCCC1(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3/c1-11-3-2-4-12(11,9-17)19-7-5-18(6-8-19)10-13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyHVPDMWNBFJPBFR-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.68
Rot. Bonds3

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

[2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine (PubChem CID 65046131) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is [2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
PubChem CID65046131
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name[2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
SMILESCC1CCCC1(CN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3/c1-11-3-2-4-12(11,9-17)19-7-5-18(6-8-19)10-13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyHVPDMWNBFJPBFR-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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Related Compounds

(4R)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine
CID 126480859
(4S)-8-tert-butyl-3,3-difluoro-8-azaspiro[4.5]decan-4-amine
CID 162492906
2-Ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
CID 43173293
2,5-Dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
CID 43362669
[1-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
CID 43362672
2-Propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
CID 43362673
N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine
CID 55141749
2-Cyclopentyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 62071235
N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine
CID 62968466
N-propyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine
CID 62968624
2-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine
CID 62968627
[2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
CID 62969099

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The IUPAC name of [2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine (CID 65046131) is [2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine.
What is the SMILES notation for [2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The canonical SMILES for [2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine is CC1CCCC1(CN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
The InChIKey is HVPDMWNBFJPBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3/c1-11-3-2-4-12(11,9-17)19-7-5-18(6-8-19)10-13(14,15)16/h11H,2-10,17H2,1H3.
What are the key properties of [2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine?
[2-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 [2-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine is sourced from PubChem (CID 65046131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).