3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine

C12H23F2NO — CID 171756133

IUPAC3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine
SMILESCC(C)C1C(OC(F)F)CCCN1C(C)C
InChIInChI=1S/C12H23F2NO/c1-8(2)11-10(16-12(13)14)6-5-7-15(11)9(3)4/h8-12H,5-7H2,1-4H3
InChIKeyHTJKBFXVKLZUPS-UHFFFAOYSA-N
MW235.32 g/mol
LogP3.12
Rot. Bonds4

About 3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine

3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine (PubChem CID 171756133) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine
PubChem CID171756133
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine
SMILESCC(C)C1C(OC(F)F)CCCN1C(C)C
InChIInChI=1S/C12H23F2NO/c1-8(2)11-10(16-12(13)14)6-5-7-15(11)9(3)4/h8-12H,5-7H2,1-4H3
InChIKeyHTJKBFXVKLZUPS-UHFFFAOYSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine?
The IUPAC name of 3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine (CID 171756133) is 3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine.
What is the SMILES notation for 3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine?
The canonical SMILES for 3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine is CC(C)C1C(OC(F)F)CCCN1C(C)C.
What is the InChIKey of 3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine?
The InChIKey is HTJKBFXVKLZUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-8(2)11-10(16-12(13)14)6-5-7-15(11)9(3)4/h8-12H,5-7H2,1-4H3.
What are the key properties of 3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine?
3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine has a molecular weight of 235.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1,2-di(propan-2-yl)piperidine is sourced from PubChem (CID 171756133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).