N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C8H15F3N2O — CID 82706970

IUPACN-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCONC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c1-14-12-7-2-4-13(5-3-7)6-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyPWXVNSMWAYWDBH-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.16
Rot. Bonds3

About N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 82706970) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID82706970
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC NameN-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCONC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c1-14-12-7-2-4-13(5-3-7)6-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyPWXVNSMWAYWDBH-UHFFFAOYSA-N
XLogP1.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.16
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-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82709542
N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82719979
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 103788940
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
CID 62319981
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486
methyl 4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 60782427
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592050
2,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidin-1-amine
CID 83009533
methyl 2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 122164232
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 82706970) is N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CONC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is PWXVNSMWAYWDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c1-14-12-7-2-4-13(5-3-7)6-8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 212.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 82706970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).