4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine

C11H18F3NO — CID 147253901

IUPAC4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
SMILESCOC1CCN(CC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H18F3NO/c1-16-9-2-6-15(7-3-9)8-10(4-5-10)11(12,13)14/h9H,2-8H2,1H3
InChIKeyCNFHUTMPDSUSMW-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.44
Rot. Bonds3

About 4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine

4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine (PubChem CID 147253901) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
PubChem CID147253901
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
SMILESCOC1CCN(CC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H18F3NO/c1-16-9-2-6-15(7-3-9)8-10(4-5-10)11(12,13)14/h9H,2-8H2,1H3
InChIKeyCNFHUTMPDSUSMW-UHFFFAOYSA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine?
The IUPAC name of 4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine (CID 147253901) is 4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine.
What is the SMILES notation for 4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine?
The canonical SMILES for 4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine is COC1CCN(CC2(C(F)(F)F)CC2)CC1.
What is the InChIKey of 4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine?
The InChIKey is CNFHUTMPDSUSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-16-9-2-6-15(7-3-9)8-10(4-5-10)11(12,13)14/h9H,2-8H2,1H3.
What are the key properties of 4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine?
4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine has a molecular weight of 237.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine is sourced from PubChem (CID 147253901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).