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

C12H19F2NO — CID 176663502

IUPAC4-(difluoromethylidene)-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
SMILESCOCC1(CN2CCC(=C(F)F)CC2)CC1
InChIInChI=1S/C12H19F2NO/c1-16-9-12(4-5-12)8-15-6-2-10(3-7-15)11(13)14/h2-9H2,1H3
InChIKeyGOOXULGRLMCHOF-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.66
Rot. Bonds4

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

4-(difluoromethylidene)-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine (PubChem CID 176663502) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
PubChem CID176663502
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Name4-(difluoromethylidene)-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
SMILESCOCC1(CN2CCC(=C(F)F)CC2)CC1
InChIInChI=1S/C12H19F2NO/c1-16-9-12(4-5-12)8-15-6-2-10(3-7-15)11(13)14/h2-9H2,1H3
InChIKeyGOOXULGRLMCHOF-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.66
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-(methoxymethyl)cyclopropyl]methyl]piperidine?
The IUPAC name of 4-(difluoromethylidene)-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine (CID 176663502) is 4-(difluoromethylidene)-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine.
What is the SMILES notation for 4-(difluoromethylidene)-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine?
The canonical SMILES for 4-(difluoromethylidene)-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine is COCC1(CN2CCC(=C(F)F)CC2)CC1.
What is the InChIKey of 4-(difluoromethylidene)-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine?
The InChIKey is GOOXULGRLMCHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO/c1-16-9-12(4-5-12)8-15-6-2-10(3-7-15)11(13)14/h2-9H2,1H3.
What are the key properties of 4-(difluoromethylidene)-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine?
4-(difluoromethylidene)-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine has a molecular weight of 231.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine is sourced from PubChem (CID 176663502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).