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

C15H21F3N2 — CID 63250554

IUPACN-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2/c1-19-10-12-6-8-20(9-7-12)11-13-4-2-3-5-14(13)15(16,17)18/h2-5,12,19H,6-11H2,1H3
InChIKeyOEOMNCPIEMPABK-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.14
Rot. Bonds4

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

N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine (PubChem CID 63250554) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
PubChem CID63250554
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2/c1-19-10-12-6-8-20(9-7-12)11-13-4-2-3-5-14(13)15(16,17)18/h2-5,12,19H,6-11H2,1H3
InChIKeyOEOMNCPIEMPABK-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013
ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526
N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62880119
1-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55138055
trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine
CID 66571066
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 124612859
1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922702
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 63249109
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 1329756
4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]morpholine
CID 171691368

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine (CID 63250554) is N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine is CNCC1CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine?
The InChIKey is OEOMNCPIEMPABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-19-10-12-6-8-20(9-7-12)11-13-4-2-3-5-14(13)15(16,17)18/h2-5,12,19H,6-11H2,1H3.
What are the key properties of N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine?
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine has a molecular weight of 286.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 63250554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).