N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine

C13H25F3N2 — CID 55164523

IUPACN-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
SMILESCCCC1(CN(CC)CC(F)(F)F)CCCNC1
InChIInChI=1S/C13H25F3N2/c1-3-6-12(7-5-8-17-9-12)10-18(4-2)11-13(14,15)16/h17H,3-11H2,1-2H3
InChIKeyBWBRFIRXXRFRAN-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds6

About N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine

N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine (PubChem CID 55164523) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
PubChem CID55164523
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
SMILESCCCC1(CN(CC)CC(F)(F)F)CCCNC1
InChIInChI=1S/C13H25F3N2/c1-3-6-12(7-5-8-17-9-12)10-18(4-2)11-13(14,15)16/h17H,3-11H2,1-2H3
InChIKeyBWBRFIRXXRFRAN-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 63133103
3-methyl-N-(3-methylbutyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 107870233
N-[(3-ethylpiperidin-3-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 63132920
N-methyl-N-[(3-propylpiperidin-3-yl)methyl]propan-1-amine
CID 63132958
N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133418
N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256205
4,4,4-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]butan-1-amine
CID 113327713
N-[(3-ethylpiperidin-3-yl)methyl]-N-propylpropan-1-amine
CID 63133368
N-[[1-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 62256212
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 65010133
N-methyl-2-methylsulfonyl-N-[(3-propylpiperidin-3-yl)methyl]ethanamine
CID 79864779
N-(2-methylpropyl)-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133310

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine (CID 55164523) is N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine is CCCC1(CN(CC)CC(F)(F)F)CCCNC1.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine?
The InChIKey is BWBRFIRXXRFRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-3-6-12(7-5-8-17-9-12)10-18(4-2)11-13(14,15)16/h17H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine?
N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[(3-propylpiperidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 55164523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).