4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine

C24H46F4N2O2 — CID 176568410

IUPAC4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1(C)CN(C)CCC1C(F)F.CC(C)OCC1(C)CN(C)CCC1C(F)F
InChIInChI=1S/2C12H23F2NO/c2*1-9(2)16-8-12(3)7-15(4)6-5-10(12)11(13)14/h2*9-11H,5-8H2,1-4H3
InChIKeyCKVUYKQRFFNHLU-UHFFFAOYSA-N
MW470.64 g/mol
LogP5.27
Rot. Bonds8

About 4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine

4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine (PubChem CID 176568410) has the molecular formula C24H46F4N2O2 and a molecular weight of 470.64 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine
PubChem CID176568410
Molecular FormulaC24H46F4N2O2
Molecular Weight470.64 g/mol
Exact Mass470.35
IUPAC Name4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine
SMILESCC(C)OCC1(C)CN(C)CCC1C(F)F.CC(C)OCC1(C)CN(C)CCC1C(F)F
InChIInChI=1S/2C12H23F2NO/c2*1-9(2)16-8-12(3)7-15(4)6-5-10(12)11(13)14/h2*9-11H,5-8H2,1-4H3
InChIKeyCKVUYKQRFFNHLU-UHFFFAOYSA-N
XLogP5.27
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.64
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine?
The IUPAC name of 4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine (CID 176568410) is 4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine.
What is the SMILES notation for 4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine?
The canonical SMILES for 4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine is CC(C)OCC1(C)CN(C)CCC1C(F)F.CC(C)OCC1(C)CN(C)CCC1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine?
The InChIKey is CKVUYKQRFFNHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H23F2NO/c2*1-9(2)16-8-12(3)7-15(4)6-5-10(12)11(13)14/h2*9-11H,5-8H2,1-4H3.
What are the key properties of 4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine?
4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine has a molecular weight of 470.64 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine is sourced from PubChem (CID 176568410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).