4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine

C13H21F2NO — CID 176664215

IUPAC4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine
SMILESCCOCC1(CN2CCC(=C(F)F)CC2)CC1
InChIInChI=1S/C13H21F2NO/c1-2-17-10-13(5-6-13)9-16-7-3-11(4-8-16)12(14)15/h2-10H2,1H3
InChIKeyLFXSEVHQURCKAU-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.05
Rot. Bonds5

About 4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine

4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine (PubChem CID 176664215) has the molecular formula C13H21F2NO and a molecular weight of 245.31 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine
PubChem CID176664215
Molecular FormulaC13H21F2NO
Molecular Weight245.31 g/mol
Exact Mass245.16
IUPAC Name4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine
SMILESCCOCC1(CN2CCC(=C(F)F)CC2)CC1
InChIInChI=1S/C13H21F2NO/c1-2-17-10-13(5-6-13)9-16-7-3-11(4-8-16)12(14)15/h2-10H2,1H3
InChIKeyLFXSEVHQURCKAU-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine?
The IUPAC name of 4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine (CID 176664215) is 4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine.
What is the SMILES notation for 4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine?
The canonical SMILES for 4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine is CCOCC1(CN2CCC(=C(F)F)CC2)CC1.
What is the InChIKey of 4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine?
The InChIKey is LFXSEVHQURCKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO/c1-2-17-10-13(5-6-13)9-16-7-3-11(4-8-16)12(14)15/h2-10H2,1H3.
What are the key properties of 4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine?
4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine has a molecular weight of 245.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]piperidine is sourced from PubChem (CID 176664215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).