4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine

C13H24F2N2 — CID 129268217

IUPAC4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine
SMILESCC1CN(C2CCN(C)CC2)CC(C)C1(F)F
InChIInChI=1S/C13H24F2N2/c1-10-8-17(9-11(2)13(10,14)15)12-4-6-16(3)7-5-12/h10-12H,4-9H2,1-3H3
InChIKeyDTNZBYYTFCGXOZ-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.30
Rot. Bonds1

About 4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine

4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine (PubChem CID 129268217) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine
PubChem CID129268217
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine
SMILESCC1CN(C2CCN(C)CC2)CC(C)C1(F)F
InChIInChI=1S/C13H24F2N2/c1-10-8-17(9-11(2)13(10,14)15)12-4-6-16(3)7-5-12/h10-12H,4-9H2,1-3H3
InChIKeyDTNZBYYTFCGXOZ-UHFFFAOYSA-N
XLogP2.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine?
The IUPAC name of 4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine (CID 129268217) is 4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine?
The canonical SMILES for 4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine is CC1CN(C2CCN(C)CC2)CC(C)C1(F)F.
What is the InChIKey of 4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine?
The InChIKey is DTNZBYYTFCGXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-10-8-17(9-11(2)13(10,14)15)12-4-6-16(3)7-5-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine?
4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine has a molecular weight of 246.34 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine is sourced from PubChem (CID 129268217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).