N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine

C14H19F3N2O — CID 54189773

IUPACN-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine
SMILESFC(F)(F)COC(NC1CCCCN1)c1ccccc1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)10-20-13(11-6-2-1-3-7-11)19-12-8-4-5-9-18-12/h1-3,6-7,12-13,18-19H,4-5,8-10H2
InChIKeyPHRUBGFVMOGQLS-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.95
Rot. Bonds5

About N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine

N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine (PubChem CID 54189773) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine.

Molecular Properties

Compound NameN-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine
PubChem CID54189773
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine
SMILESFC(F)(F)COC(NC1CCCCN1)c1ccccc1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)10-20-13(11-6-2-1-3-7-11)19-12-8-4-5-9-18-12/h1-3,6-7,12-13,18-19H,4-5,8-10H2
InChIKeyPHRUBGFVMOGQLS-UHFFFAOYSA-N
XLogP2.95
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-benzyl-2-phenylmethoxyimidazolidine
CID 3246396
1-Benzyl-2-(benzyloxy)imidazolidine
CID 270389
4-(Benzyloxy)-3,3-difluoropiperidine
CID 46177342
2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)-3,5-dimethyl-4,6-diphenyl-1,3,5-oxadiazinane
CID 134921578
Fluorophenyloxazolidine
CID 153639051
2H-1,3-Oxazine, tetrahydro-2-phenyl-
CID 352488
(3R)-4,4-difluoro-3-(phenylmethoxymethyl)piperidine
CID 164633313
(4aR,8aS)-2-[4-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine
CID 10517245
(4aR,8aS)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine
CID 10820469
2-Phenyl-5-(trifluoromethyl)-2,3-dihydro-1,3-oxazole
CID 21950124
4-[(Benzyloxy)methyl]-3,3-difluoropiperidine
CID 46176678
2-[Fluoro(phenyl)methoxy]piperidine
CID 53672143

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine?
The IUPAC name of N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine (CID 54189773) is N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine.
What is the SMILES notation for N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine?
The canonical SMILES for N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine is FC(F)(F)COC(NC1CCCCN1)c1ccccc1.
What is the InChIKey of N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine?
The InChIKey is PHRUBGFVMOGQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)10-20-13(11-6-2-1-3-7-11)19-12-8-4-5-9-18-12/h1-3,6-7,12-13,18-19H,4-5,8-10H2.
What are the key properties of N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine?
N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(2,2,2-trifluoroethoxy)methyl]piperidin-2-amine is sourced from PubChem (CID 54189773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).