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

C9H17F3N2O — CID 82709542

IUPACN-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCONC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O/c1-2-15-13-8-3-5-14(6-4-8)7-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyUEMTUCUHCOAKQP-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.55
Rot. Bonds4

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

N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 82709542) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID82709542
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCCONC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N2O/c1-2-15-13-8-3-5-14(6-4-8)7-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyUEMTUCUHCOAKQP-UHFFFAOYSA-N
XLogP1.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.55
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-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82719979
N-ethoxy-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 82710058
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 103788940
N-ethyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
CID 122156751
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345
N-(2-methylbutyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 62693274
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
N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide
CID 104926671
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 82709542) is N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CCONC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is UEMTUCUHCOAKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-2-15-13-8-3-5-14(6-4-8)7-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 226.24 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 82709542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).