4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane

C13H24F3NO — CID 177326683

IUPAC4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane
SMILESC=C(C)N1CCC(OC)C(C(F)(F)F)C1.CCC
InChIInChI=1S/C10H16F3NO.C3H8/c1-7(2)14-5-4-9(15-3)8(6-14)10(11,12)13;1-3-2/h8-9H,1,4-6H2,2-3H3;3H2,1-2H3
InChIKeyLJXFIDDJQGJBEL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.84
Rot. Bonds2

About 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane

4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane (PubChem CID 177326683) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane.

Molecular Properties

Compound Name4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane
PubChem CID177326683
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane
SMILESC=C(C)N1CCC(OC)C(C(F)(F)F)C1.CCC
InChIInChI=1S/C10H16F3NO.C3H8/c1-7(2)14-5-4-9(15-3)8(6-14)10(11,12)13;1-3-2/h8-9H,1,4-6H2,2-3H3;3H2,1-2H3
InChIKeyLJXFIDDJQGJBEL-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane?
The IUPAC name of 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane (CID 177326683) is 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane.
What is the SMILES notation for 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane?
The canonical SMILES for 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane is C=C(C)N1CCC(OC)C(C(F)(F)F)C1.CCC.
What is the InChIKey of 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane?
The InChIKey is LJXFIDDJQGJBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO.C3H8/c1-7(2)14-5-4-9(15-3)8(6-14)10(11,12)13;1-3-2/h8-9H,1,4-6H2,2-3H3;3H2,1-2H3.
What are the key properties of 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane?
4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane has a molecular weight of 267.33 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine;propane is sourced from PubChem (CID 177326683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).