1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine

C12H22F2N2 — CID 130218882

IUPAC1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine
SMILESCC(C)(C)N1CC(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C12H22F2N2/c1-11(2,3)16-8-10(9-16)15-6-4-12(13,14)5-7-15/h10H,4-9H2,1-3H3
InChIKeyKZOAYUVSTCFRIA-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.20
Rot. Bonds1

About 1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine

1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine (PubChem CID 130218882) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine
PubChem CID130218882
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine
SMILESCC(C)(C)N1CC(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C12H22F2N2/c1-11(2,3)16-8-10(9-16)15-6-4-12(13,14)5-7-15/h10H,4-9H2,1-3H3
InChIKeyKZOAYUVSTCFRIA-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine?
The IUPAC name of 1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine (CID 130218882) is 1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine.
What is the SMILES notation for 1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine?
The canonical SMILES for 1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine is CC(C)(C)N1CC(N2CCC(F)(F)CC2)C1.
What is the InChIKey of 1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine?
The InChIKey is KZOAYUVSTCFRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-11(2,3)16-8-10(9-16)15-6-4-12(13,14)5-7-15/h10H,4-9H2,1-3H3.
What are the key properties of 1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine?
1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine has a molecular weight of 232.32 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylazetidin-3-yl)-4,4-difluoropiperidine is sourced from PubChem (CID 130218882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).