N-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine

C16H23F3N2O — CID 134142051

IUPACN-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(OCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N2O/c1-20-8-11-21-9-6-14(7-10-21)22-12-13-4-2-3-5-15(13)16(17,18)19/h2-5,14,20H,6-12H2,1H3
InChIKeySXNQENMPTCVHFW-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.91
Rot. Bonds6

About N-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine

N-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine (PubChem CID 134142051) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is N-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine
PubChem CID134142051
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC NameN-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(OCc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H23F3N2O/c1-20-8-11-21-9-6-14(7-10-21)22-12-13-4-2-3-5-15(13)16(17,18)19/h2-5,14,20H,6-12H2,1H3
InChIKeySXNQENMPTCVHFW-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-(Benzyloxy)piperidin-1-yl)-N-methylethanamine
CID 53868701
4-(Benzyloxy)piperidine
CID 3157460
1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazine
CID 9974013
4-Phenyl-4-(2-trifluoromethyl-benzyloxymethyl)-piperidine
CID 10548166
4-[Bis(4-fluorophenyl)methoxy]-1-methylpiperidine
CID 11659699
N-Ethyl-3,4-dihydro-1H-2-benzopyran-1-methanamine
CID 2836274
2-(3-(Bis(4-fluorophenyl)methoxy)-8-aza-bicyclo[3.2.1]octan-8-yl)ethanamine
CID 10044800
(2S,5R)-1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-2,5-dimethyl-piperazine
CID 10498740
2-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanamine
CID 10499540
4-[1-(4-Fluorophenyl)ethoxy]-1-methylpiperidine
CID 44404583
1'-butyl-1-(3-fluoropropyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44474780
1-(3-fluoropropyl)-1'-(3-methylbut-2-enyl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44474942

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine (CID 134142051) is N-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine is CNCCN1CCC(OCc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine?
The InChIKey is SXNQENMPTCVHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-20-8-11-21-9-6-14(7-10-21)22-12-13-4-2-3-5-15(13)16(17,18)19/h2-5,14,20H,6-12H2,1H3.
What are the key properties of N-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine?
N-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine has a molecular weight of 316.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[2-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanamine is sourced from PubChem (CID 134142051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).