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

C12H22F3N3 — CID 62968627

IUPAC2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine
SMILESNC1CCCC1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3/c13-12(14,15)9-18-6-4-17(5-7-18)8-10-2-1-3-11(10)16/h10-11H,1-9,16H2
InChIKeySVPLRHCFEHGBQK-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.29
Rot. Bonds3

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

2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine (PubChem CID 62968627) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine
PubChem CID62968627
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC Name2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine
SMILESNC1CCCC1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3/c13-12(14,15)9-18-6-4-17(5-7-18)8-10-2-1-3-11(10)16/h10-11H,1-9,16H2
InChIKeySVPLRHCFEHGBQK-UHFFFAOYSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.29
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]methyl]cyclopentan-1-amine?
The IUPAC name of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine (CID 62968627) is 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine is NC1CCCC1CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine?
The InChIKey is SVPLRHCFEHGBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c13-12(14,15)9-18-6-4-17(5-7-18)8-10-2-1-3-11(10)16/h10-11H,1-9,16H2.
What are the key properties of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine?
2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 1.29, 3 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]methyl]cyclopentan-1-amine is sourced from PubChem (CID 62968627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).