N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

C16H23F3N2 — CID 106622610

IUPACN-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCN(Cc1ccccc1C(F)(F)F)CC1CCCCN1
InChIInChI=1S/C16H23F3N2/c1-2-21(12-14-8-5-6-10-20-14)11-13-7-3-4-9-15(13)16(17,18)19/h3-4,7,9,14,20H,2,5-6,8,10-12H2,1H3
InChIKeyXBQFGKLHDMGCIX-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.67
Rot. Bonds5

About N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 106622610) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID106622610
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCN(Cc1ccccc1C(F)(F)F)CC1CCCCN1
InChIInChI=1S/C16H23F3N2/c1-2-21(12-14-8-5-6-10-20-14)11-13-7-3-4-9-15(13)16(17,18)19/h3-4,7,9,14,20H,2,5-6,8,10-12H2,1H3
InChIKeyXBQFGKLHDMGCIX-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]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-(pyrrolidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106603566
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603362
N-(piperidin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 104870097
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632656
N-(naphthalen-1-ylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603263
N-[[2-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603473
2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106615202
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
1-[ethyl(piperidin-2-ylmethyl)amino]-2-phenylpropan-2-ol
CID 106632567
1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604438

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 106622610) is N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is CCN(Cc1ccccc1C(F)(F)F)CC1CCCCN1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is XBQFGKLHDMGCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-2-21(12-14-8-5-6-10-20-14)11-13-7-3-4-9-15(13)16(17,18)19/h3-4,7,9,14,20H,2,5-6,8,10-12H2,1H3.
What are the key properties of N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 300.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 106622610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).