potassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane

C13H23F2KN2O2 — CID 156799311

IUPACpotassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane
SMILESCC.CC1CCN(CC(=O)N2CC([O-])C2)CC1(F)F.[K+]
InChIInChI=1S/C11H17F2N2O2.C2H6.K/c1-8-2-3-14(7-11(8,12)13)6-10(17)15-4-9(16)5-15;1-2;/h8-9H,2-7H2,1H3;1-2H3;/q-1;;+1
InChIKeyMQPVMDPZQIZINK-UHFFFAOYSA-N
MW316.43 g/mol
LogP-2.44
Rot. Bonds2

About potassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane

potassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane (PubChem CID 156799311) has the molecular formula C13H23F2KN2O2 and a molecular weight of 316.43 g/mol. Its IUPAC name is potassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane.

Molecular Properties

Compound Namepotassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane
PubChem CID156799311
Molecular FormulaC13H23F2KN2O2
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Namepotassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane
SMILESCC.CC1CCN(CC(=O)N2CC([O-])C2)CC1(F)F.[K+]
InChIInChI=1S/C11H17F2N2O2.C2H6.K/c1-8-2-3-14(7-11(8,12)13)6-10(17)15-4-9(16)5-15;1-2;/h8-9H,2-7H2,1H3;1-2H3;/q-1;;+1
InChIKeyMQPVMDPZQIZINK-UHFFFAOYSA-N
XLogP-2.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 5-2.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane?
The IUPAC name of potassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane (CID 156799311) is potassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane.
What is the SMILES notation for potassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane?
The canonical SMILES for potassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane is CC.CC1CCN(CC(=O)N2CC([O-])C2)CC1(F)F.[K+].
What is the InChIKey of potassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane?
The InChIKey is MQPVMDPZQIZINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N2O2.C2H6.K/c1-8-2-3-14(7-11(8,12)13)6-10(17)15-4-9(16)5-15;1-2;/h8-9H,2-7H2,1H3;1-2H3;/q-1;;+1.
What are the key properties of potassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane?
potassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane has a molecular weight of 316.43 g/mol, XLogP of -2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-[2-(3,3-difluoro-4-methylpiperidin-1-yl)acetyl]azetidin-3-olate;ethane is sourced from PubChem (CID 156799311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).