4-(difluoromethylidene)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine

C14H23F2NO — CID 176663644

IUPAC4-(difluoromethylidene)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCC(=C(F)F)CC2)CC1
InChIInChI=1S/C14H23F2NO/c1-11(2)18-10-14(5-6-14)9-17-7-3-12(4-8-17)13(15)16/h11H,3-10H2,1-2H3
InChIKeyYGTRIMOZCZRVND-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.44
Rot. Bonds5

About 4-(difluoromethylidene)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine

4-(difluoromethylidene)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (PubChem CID 176663644) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
PubChem CID176663644
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name4-(difluoromethylidene)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCC(=C(F)F)CC2)CC1
InChIInChI=1S/C14H23F2NO/c1-11(2)18-10-14(5-6-14)9-17-7-3-12(4-8-17)13(15)16/h11H,3-10H2,1-2H3
InChIKeyYGTRIMOZCZRVND-UHFFFAOYSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.44
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-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The IUPAC name of 4-(difluoromethylidene)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (CID 176663644) is 4-(difluoromethylidene)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.
What is the SMILES notation for 4-(difluoromethylidene)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The canonical SMILES for 4-(difluoromethylidene)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is CC(C)OCC1(CN2CCC(=C(F)F)CC2)CC1.
What is the InChIKey of 4-(difluoromethylidene)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The InChIKey is YGTRIMOZCZRVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-11(2)18-10-14(5-6-14)9-17-7-3-12(4-8-17)13(15)16/h11H,3-10H2,1-2H3.
What are the key properties of 4-(difluoromethylidene)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
4-(difluoromethylidene)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine has a molecular weight of 259.34 g/mol, XLogP of 3.44, 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-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is sourced from PubChem (CID 176663644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).