2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

C15H21F3N2 — CID 60697098

IUPAC2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)(F)c1ccccc1CNCCN1CCCCC1
InChIInChI=1S/C15H21F3N2/c16-15(17,18)14-7-3-2-6-13(14)12-19-8-11-20-9-4-1-5-10-20/h2-3,6-7,19H,1,4-5,8-12H2
InChIKeyLDXFKBSCZAJOBV-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.28
Rot. Bonds5

About 2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 60697098) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID60697098
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)(F)c1ccccc1CNCCN1CCCCC1
InChIInChI=1S/C15H21F3N2/c16-15(17,18)14-7-3-2-6-13(14)12-19-8-11-20-9-4-1-5-10-20/h2-3,6-7,19H,1,4-5,8-12H2
InChIKeyLDXFKBSCZAJOBV-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 43435870
2-(4-methylpiperazin-1-yl)-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 118563650
2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 17210199
2-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 60760080
N-[(2-nitrophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654094
2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide
CID 55097569
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 119129214
2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43220540
1-(3-chloro-2-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 115656735
6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol
CID 22006356
2-ethylsulfinyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 113236210

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 60697098) is 2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is FC(F)(F)c1ccccc1CNCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is LDXFKBSCZAJOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c16-15(17,18)14-7-3-2-6-13(14)12-19-8-11-20-9-4-1-5-10-20/h2-3,6-7,19H,1,4-5,8-12H2.
What are the key properties of 2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 286.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 60697098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).