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

C19H27F3N2O — CID 119129214

IUPACN-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C19H27F3N2O/c20-19(21,22)17-7-3-2-6-16(17)14-23-15-18(8-12-25-13-9-18)24-10-4-1-5-11-24/h2-3,6-7,23H,1,4-5,8-15H2
InChIKeyJYFSVTLNFFSJTK-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.83
Rot. Bonds5

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

N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 119129214) has the molecular formula C19H27F3N2O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID119129214
Molecular FormulaC19H27F3N2O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC NameN-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C19H27F3N2O/c20-19(21,22)17-7-3-2-6-16(17)14-23-15-18(8-12-25-13-9-18)24-10-4-1-5-11-24/h2-3,6-7,23H,1,4-5,8-15H2
InChIKeyJYFSVTLNFFSJTK-UHFFFAOYSA-N
XLogP3.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103743564
1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129346
1-[2-(trifluoromethyl)phenyl]-N-[[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]-1-bicyclo[2.2.2]octanyl]methyl]methanamine;dihydrochloride
CID 138398761
1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129353
1-(5-methylthiophen-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129246
2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60697098
1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129183
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 119129298
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129341
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129275
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103802421
1,2-bis(trifluoromethyl)benzene;oxolane
CID 158991746

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (CID 119129214) is N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1ccccc1CNCC1(N2CCCCC2)CCOCC1.
What is the InChIKey of N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is JYFSVTLNFFSJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O/c20-19(21,22)17-7-3-2-6-16(17)14-23-15-18(8-12-25-13-9-18)24-10-4-1-5-11-24/h2-3,6-7,23H,1,4-5,8-15H2.
What are the key properties of N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 356.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 119129214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).