4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine

C12H22F2N2 — CID 58404939

IUPAC4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine
SMILESCC(C)CN1CC(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C12H22F2N2/c1-10(2)7-15-8-11(9-15)16-5-3-12(13,14)4-6-16/h10-11H,3-9H2,1-2H3
InChIKeyCWXFZESLFZYCPH-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.06
Rot. Bonds3

About 4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine

4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine (PubChem CID 58404939) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine
PubChem CID58404939
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine
SMILESCC(C)CN1CC(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C12H22F2N2/c1-10(2)7-15-8-11(9-15)16-5-3-12(13,14)4-6-16/h10-11H,3-9H2,1-2H3
InChIKeyCWXFZESLFZYCPH-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine?
The IUPAC name of 4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine (CID 58404939) is 4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine?
The canonical SMILES for 4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine is CC(C)CN1CC(N2CCC(F)(F)CC2)C1.
What is the InChIKey of 4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine?
The InChIKey is CWXFZESLFZYCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-10(2)7-15-8-11(9-15)16-5-3-12(13,14)4-6-16/h10-11H,3-9H2,1-2H3.
What are the key properties of 4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine?
4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine has a molecular weight of 232.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[1-(2-methylpropyl)azetidin-3-yl]piperidine is sourced from PubChem (CID 58404939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).