3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride

C7H13ClF3NO — CID 75467774

IUPAC3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride
SMILESCOC1(C(F)(F)F)CCCNC1.Cl
InChIInChI=1S/C7H12F3NO.ClH/c1-12-6(7(8,9)10)3-2-4-11-5-6;/h11H,2-5H2,1H3;1H
InChIKeyGMUGVCTYTVHHFN-UHFFFAOYSA-N
MW219.63 g/mol
LogP1.74
Rot. Bonds1

About 3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride

3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride (PubChem CID 75467774) has the molecular formula C7H13ClF3NO and a molecular weight of 219.63 g/mol. Its IUPAC name is 3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride
PubChem CID75467774
Molecular FormulaC7H13ClF3NO
Molecular Weight219.63 g/mol
Exact Mass219.06
IUPAC Name3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride
SMILESCOC1(C(F)(F)F)CCCNC1.Cl
InChIInChI=1S/C7H12F3NO.ClH/c1-12-6(7(8,9)10)3-2-4-11-5-6;/h11H,2-5H2,1H3;1H
InChIKeyGMUGVCTYTVHHFN-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride?
The IUPAC name of 3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride (CID 75467774) is 3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride.
What is the SMILES notation for 3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride?
The canonical SMILES for 3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride is COC1(C(F)(F)F)CCCNC1.Cl.
What is the InChIKey of 3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride?
The InChIKey is GMUGVCTYTVHHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.ClH/c1-12-6(7(8,9)10)3-2-4-11-5-6;/h11H,2-5H2,1H3;1H.
What are the key properties of 3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride?
3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride has a molecular weight of 219.63 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(trifluoromethyl)piperidine;hydrochloride is sourced from PubChem (CID 75467774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).