N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H21F3N2O — CID 82719979

IUPACN-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)(C)ONC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-10(2,3)17-15-9-4-6-16(7-5-9)8-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyUWTVWLWBGWJDJX-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.33
Rot. Bonds3

About N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 82719979) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID82719979
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)(C)ONC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-10(2,3)17-15-9-4-6-16(7-5-9)8-11(12,13)14/h9,15H,4-8H2,1-3H3
InChIKeyUWTVWLWBGWJDJX-UHFFFAOYSA-N
XLogP2.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82706970
N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82709542
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 103788940
4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345
tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349
2,4-dimethyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-2-ol
CID 66178563
2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol
CID 167468065
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
CID 62319981
2-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanamide
CID 61218639
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 82719979) is N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(C)(C)ONC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is UWTVWLWBGWJDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-10(2,3)17-15-9-4-6-16(7-5-9)8-11(12,13)14/h9,15H,4-8H2,1-3H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 254.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 82719979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).