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

C14H26F3N3 — CID 62967694

IUPACN-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
SMILESCCNC1CCCCC1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3/c1-2-18-12-5-3-4-6-13(12)20-9-7-19(8-10-20)11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyCCVLRFQESHQALQ-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.09
Rot. Bonds4

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

N-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine (PubChem CID 62967694) 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]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
PubChem CID62967694
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC NameN-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
SMILESCCNC1CCCCC1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3/c1-2-18-12-5-3-4-6-13(12)20-9-7-19(8-10-20)11-14(15,16)17/h12-13,18H,2-11H2,1H3
InChIKeyCCVLRFQESHQALQ-UHFFFAOYSA-N
XLogP2.09
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine (CID 62967694) is N-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine is CCNC1CCCCC1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine?
The InChIKey is CCVLRFQESHQALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3/c1-2-18-12-5-3-4-6-13(12)20-9-7-19(8-10-20)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]cyclohexan-1-amine?
N-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine has a molecular weight of 293.38 g/mol, XLogP of 2.09, 4 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]cyclohexan-1-amine is sourced from PubChem (CID 62967694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).