N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine

C13H17F3N2O — CID 83006472

IUPACN-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine
SMILESFC(F)(F)Oc1ccccc1CNN1CCCCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)19-12-7-3-2-6-11(12)10-17-18-8-4-1-5-9-18/h2-3,6-7,17H,1,4-5,8-10H2
InChIKeyGOZIRQKARSLKET-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.08
Rot. Bonds4

About N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine

N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine (PubChem CID 83006472) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine
PubChem CID83006472
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine
SMILESFC(F)(F)Oc1ccccc1CNN1CCCCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)19-12-7-3-2-6-11(12)10-17-18-8-4-1-5-9-18/h2-3,6-7,17H,1,4-5,8-10H2
InChIKeyGOZIRQKARSLKET-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(trifluoromethoxy)phenyl]methyl]morpholin-4-amine
CID 83009114
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
2,6-dichloro-N-[[2-(trifluoromethoxy)phenyl]methyl]aniline
CID 65467198
2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 56509917
N-piperidin-1-yl-1-[2-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 83011001
2-phenyl-1-pyrrolidin-1-yl-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethanone
CID 55471032
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
1-[[2-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 61057074
1-[[[2-(trifluoromethoxy)phenyl]methylamino]methyl]cyclopentan-1-ol
CID 63932476
1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275621
3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 106008246

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine?
The IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine (CID 83006472) is N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine.
What is the SMILES notation for N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine?
The canonical SMILES for N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine is FC(F)(F)Oc1ccccc1CNN1CCCCC1.
What is the InChIKey of N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine?
The InChIKey is GOZIRQKARSLKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)19-12-7-3-2-6-11(12)10-17-18-8-4-1-5-9-18/h2-3,6-7,17H,1,4-5,8-10H2.
What are the key properties of N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine?
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine has a molecular weight of 274.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine is sourced from PubChem (CID 83006472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).