N-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine

C13H25F3N2O — CID 62568227

IUPACN-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
SMILESCOCCNCCCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-19-10-7-17-6-2-3-8-18-9-4-5-12(11-18)13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyQFCRKQPHWDXVOX-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.28
Rot. Bonds8

About N-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine

N-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine (PubChem CID 62568227) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
PubChem CID62568227
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
SMILESCOCCNCCCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H25F3N2O/c1-19-10-7-17-6-2-3-8-18-9-4-5-12(11-18)13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyQFCRKQPHWDXVOX-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine (CID 62568227) is N-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine is COCCNCCCCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
The InChIKey is QFCRKQPHWDXVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-19-10-7-17-6-2-3-8-18-9-4-5-12(11-18)13(14,15)16/h12,17H,2-11H2,1H3.
What are the key properties of N-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine?
N-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine has a molecular weight of 282.35 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine is sourced from PubChem (CID 62568227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).