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

C12H23F3N2O — CID 62568925

IUPACN-(2-methoxyethyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
SMILESCOCCNCCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-18-9-6-16-5-3-8-17-7-2-4-11(10-17)12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyDLWDYBWROAEBQD-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds7

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

N-(2-methoxyethyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine (PubChem CID 62568925) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
PubChem CID62568925
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-(2-methoxyethyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine
SMILESCOCCNCCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-18-9-6-16-5-3-8-17-7-2-4-11(10-17)12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyDLWDYBWROAEBQD-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
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)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine (CID 62568925) is N-(2-methoxyethyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine is COCCNCCCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
The InChIKey is DLWDYBWROAEBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-18-9-6-16-5-3-8-17-7-2-4-11(10-17)12(13,14)15/h11,16H,2-10H2,1H3.
What are the key properties of N-(2-methoxyethyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine?
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 62568925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).