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

C14H26F3N3 — CID 62968466

IUPACN-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3/c1-2-18-13-5-3-4-12(13)10-19-6-8-20(9-7-19)11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyWBHUULBBGHEGCI-UHFFFAOYSA-N
MW293.38 g/mol
LogP1.94
Rot. Bonds5

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

N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine (PubChem CID 62968466) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine
PubChem CID62968466
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC NameN-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3/c1-2-18-13-5-3-4-12(13)10-19-6-8-20(9-7-19)11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyWBHUULBBGHEGCI-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine (CID 62968466) is N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine is CCNC1CCCC1CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine?
The InChIKey is WBHUULBBGHEGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3/c1-2-18-13-5-3-4-12(13)10-19-6-8-20(9-7-19)11-14(15,16)17/h12-13,18H,2-11H2,1H3.
What are the key properties of N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine?
N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine has a molecular weight of 293.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 62968466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).