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

C14H26F3N3 — CID 43173292

IUPAC[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine
SMILESNCC1(N2CCN(CC(F)(F)F)CC2)CCCCCC1
InChIInChI=1S/C14H26F3N3/c15-14(16,17)12-19-7-9-20(10-8-19)13(11-18)5-3-1-2-4-6-13/h1-12,18H2
InChIKeyWMOHNWZPONGJNU-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.22
Rot. Bonds3

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

[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine (PubChem CID 43173292) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine
PubChem CID43173292
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC Name[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine
SMILESNCC1(N2CCN(CC(F)(F)F)CC2)CCCCCC1
InChIInChI=1S/C14H26F3N3/c15-14(16,17)12-19-7-9-20(10-8-19)13(11-18)5-3-1-2-4-6-13/h1-12,18H2
InChIKeyWMOHNWZPONGJNU-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4,4-Difluoropiperidin-1-yl)cyclohexyl]methanamine
CID 117738681
2,2-Difluoro-1-(5-methylundecan-5-yl)piperazine
CID 167126946
2-Methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]octan-1-amine
CID 43173288
[1-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
CID 43173291
2-Ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
CID 43173293
[4-Ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
CID 43362667
[1-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclooctyl]methanamine
CID 43362668
[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
1-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
CID 60890222
1-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
CID 61603637
1-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cycloheptan-1-amine
CID 61605927

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine?
The IUPAC name of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine (CID 43173292) is [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine.
What is the SMILES notation for [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine?
The canonical SMILES for [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine is NCC1(N2CCN(CC(F)(F)F)CC2)CCCCCC1.
What is the InChIKey of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine?
The InChIKey is WMOHNWZPONGJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3/c15-14(16,17)12-19-7-9-20(10-8-19)13(11-18)5-3-1-2-4-6-13/h1-12,18H2.
What are the key properties of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine?
[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine has a molecular weight of 293.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine is sourced from PubChem (CID 43173292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).