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

C10H16F3NO — CID 177326684

IUPAC4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine
SMILESC=C(C)N1CCC(OC)C(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c1-7(2)14-5-4-9(15-3)8(6-14)10(11,12)13/h8-9H,1,4-6H2,2-3H3
InChIKeyMTSZVORRXPADFO-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.42
Rot. Bonds2

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

4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine (PubChem CID 177326684) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine
PubChem CID177326684
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine
SMILESC=C(C)N1CCC(OC)C(C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c1-7(2)14-5-4-9(15-3)8(6-14)10(11,12)13/h8-9H,1,4-6H2,2-3H3
InChIKeyMTSZVORRXPADFO-UHFFFAOYSA-N
XLogP2.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.42
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?
The IUPAC name of 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine (CID 177326684) is 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine is C=C(C)N1CCC(OC)C(C(F)(F)F)C1.
What is the InChIKey of 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine?
The InChIKey is MTSZVORRXPADFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-7(2)14-5-4-9(15-3)8(6-14)10(11,12)13/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine?
4-methoxy-1-prop-1-en-2-yl-3-(trifluoromethyl)piperidine has a molecular weight of 223.24 g/mol, XLogP of 2.42, 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 is sourced from PubChem (CID 177326684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).