1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine

C14H19F3N2O — CID 61212894

IUPAC1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
SMILESCN1CCCC(NCc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C14H19F3N2O/c1-19-8-2-3-12(10-19)18-9-11-4-6-13(7-5-11)20-14(15,16)17/h4-7,12,18H,2-3,8-10H2,1H3
InChIKeyOEGXSJXMAIGNFV-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.77
Rot. Bonds4

About 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine

1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine (PubChem CID 61212894) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
PubChem CID61212894
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
SMILESCN1CCCC(NCc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C14H19F3N2O/c1-19-8-2-3-12(10-19)18-9-11-4-6-13(7-5-11)20-14(15,16)17/h4-7,12,18H,2-3,8-10H2,1H3
InChIKeyOEGXSJXMAIGNFV-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 54950112
1-methyl-N-(naphthalen-2-ylmethyl)piperidin-3-amine
CID 61211389
N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462393
N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 61211231
1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95275069
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine
CID 66400036
4-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-amine
CID 83008958
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
4-[[(1-methylpyrrolidin-3-yl)amino]methyl]benzoic acid
CID 55049267
2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43434136

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
The IUPAC name of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine (CID 61212894) is 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine is CN1CCCC(NCc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
The InChIKey is OEGXSJXMAIGNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-19-8-2-3-12(10-19)18-9-11-4-6-13(7-5-11)20-14(15,16)17/h4-7,12,18H,2-3,8-10H2,1H3.
What are the key properties of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine?
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine has a molecular weight of 288.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine is sourced from PubChem (CID 61212894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).