5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine

C12H21F2N — CID 175613610

IUPAC5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine
SMILESCC(C)C1CCC(=C(F)F)CN1C(C)C
InChIInChI=1S/C12H21F2N/c1-8(2)11-6-5-10(12(13)14)7-15(11)9(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyZNVDMZLTDYZOOY-UHFFFAOYSA-N
MW217.30 g/mol
LogP3.67
Rot. Bonds2

About 5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine

5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine (PubChem CID 175613610) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is 5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine
PubChem CID175613610
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine
SMILESCC(C)C1CCC(=C(F)F)CN1C(C)C
InChIInChI=1S/C12H21F2N/c1-8(2)11-6-5-10(12(13)14)7-15(11)9(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyZNVDMZLTDYZOOY-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine?
The IUPAC name of 5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine (CID 175613610) is 5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine.
What is the SMILES notation for 5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine?
The canonical SMILES for 5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine is CC(C)C1CCC(=C(F)F)CN1C(C)C.
What is the InChIKey of 5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine?
The InChIKey is ZNVDMZLTDYZOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N/c1-8(2)11-6-5-10(12(13)14)7-15(11)9(3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine?
5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine has a molecular weight of 217.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylidene)-1,2-di(propan-2-yl)piperidine is sourced from PubChem (CID 175613610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).