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

C15H28F3N3 — CID 43362668

IUPAC[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctyl]methanamine
SMILESNCC1(N2CCN(CC(F)(F)F)CC2)CCCCCCC1
InChIInChI=1S/C15H28F3N3/c16-15(17,18)13-20-8-10-21(11-9-20)14(12-19)6-4-2-1-3-5-7-14/h1-13,19H2
InChIKeyLTDZNPRJVYLRHM-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.61
Rot. Bonds3

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

[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctyl]methanamine (PubChem CID 43362668) has the molecular formula C15H28F3N3 and a molecular weight of 307.40 g/mol. Its IUPAC name is [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctyl]methanamine.

Molecular Properties

Compound Name[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctyl]methanamine
PubChem CID43362668
Molecular FormulaC15H28F3N3
Molecular Weight307.40 g/mol
Exact Mass307.22
IUPAC Name[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctyl]methanamine
SMILESNCC1(N2CCN(CC(F)(F)F)CC2)CCCCCCC1
InChIInChI=1S/C15H28F3N3/c16-15(17,18)13-20-8-10-21(11-9-20)14(12-19)6-4-2-1-3-5-7-14/h1-13,19H2
InChIKeyLTDZNPRJVYLRHM-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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
[1-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine
CID 43173292
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]cyclopentyl]methanamine
CID 43362672
2-Propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
CID 43362673
2-Ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
CID 63945549
[3-Ethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexyl]methanamine
CID 64243024
[4-Methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cycloheptyl]methanamine
CID 65084610

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctyl]methanamine?
The IUPAC name of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctyl]methanamine (CID 43362668) is [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctyl]methanamine.
What is the SMILES notation for [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctyl]methanamine?
The canonical SMILES for [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctyl]methanamine is NCC1(N2CCN(CC(F)(F)F)CC2)CCCCCCC1.
What is the InChIKey of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctyl]methanamine?
The InChIKey is LTDZNPRJVYLRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3/c16-15(17,18)13-20-8-10-21(11-9-20)14(12-19)6-4-2-1-3-5-7-14/h1-13,19H2.
What are the key properties of [1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctyl]methanamine?
[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclooctyl]methanamine has a molecular weight of 307.40 g/mol, XLogP of 2.61, 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]cyclooctyl]methanamine is sourced from PubChem (CID 43362668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).