N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine

C11H21F3N2O — CID 55244727

IUPACN-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
SMILESCCN(CCOCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C11H21F3N2O/c1-2-16(10-4-3-5-15-8-10)6-7-17-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyQJWGDLIORSPBPC-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds6

About N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine

N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine (PubChem CID 55244727) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
PubChem CID55244727
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
SMILESCCN(CCOCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C11H21F3N2O/c1-2-16(10-4-3-5-15-8-10)6-7-17-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyQJWGDLIORSPBPC-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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4-[(2S,3S)-2-Methylpyrrolidin-3-yl]morpholine
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(S)-4-(pyrrolidin-2-ylmethyl)morpholine
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4-Morpholineethanamine, N-methyl-N-4-piperidinyl-
CID 25220733
1-(2-Ethoxyethyl)-2-ethylpiperazine
CID 54592596
1-(2-Methoxyethyl)-2-propylpiperazine
CID 64832331
4-[(2R,3R)-2-methylpyrrolidin-3-yl]morpholine
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4-(5-Methylpyrrolidin-3-yl)morpholine
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4,4-Difluoro-3-(morpholin-4-yl)butan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
The IUPAC name of N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine (CID 55244727) is N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
The canonical SMILES for N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine is CCN(CCOCC(F)(F)F)C1CCCNC1.
What is the InChIKey of N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
The InChIKey is QJWGDLIORSPBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-16(10-4-3-5-15-8-10)6-7-17-9-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine is sourced from PubChem (CID 55244727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).