2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine

C14H26F3N3 — CID 62967522

IUPAC2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine
SMILESNC1CCCCCCC1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3/c15-14(16,17)11-19-7-9-20(10-8-19)13-6-4-2-1-3-5-12(13)18/h12-13H,1-11,18H2
InChIKeyNMUVYCJTYZYCDG-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.22
Rot. Bonds2

About 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine

2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine (PubChem CID 62967522) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine
PubChem CID62967522
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine
SMILESNC1CCCCCCC1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3/c15-14(16,17)11-19-7-9-20(10-8-19)13-6-4-2-1-3-5-12(13)18/h12-13H,1-11,18H2
InChIKeyNMUVYCJTYZYCDG-UHFFFAOYSA-N
XLogP2.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine?
The IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine (CID 62967522) is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine is NC1CCCCCCC1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine?
The InChIKey is NMUVYCJTYZYCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3/c15-14(16,17)11-19-7-9-20(10-8-19)13-6-4-2-1-3-5-12(13)18/h12-13H,1-11,18H2.
What are the key properties of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine?
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine has a molecular weight of 293.38 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctan-1-amine is sourced from PubChem (CID 62967522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).