1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine

C9H16F3NO — CID 90935730

IUPAC1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine
SMILESCOC(C)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-7(14-2)13-5-3-8(4-6-13)9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyAMMKDOKPGNAQOV-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.25
Rot. Bonds2

About 1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine

1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine (PubChem CID 90935730) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine
PubChem CID90935730
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine
SMILESCOC(C)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c1-7(14-2)13-5-3-8(4-6-13)9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyAMMKDOKPGNAQOV-UHFFFAOYSA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine (CID 90935730) is 1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine is COC(C)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine?
The InChIKey is AMMKDOKPGNAQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(14-2)13-5-3-8(4-6-13)9(10,11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine?
1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine has a molecular weight of 211.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 90935730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).