1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol

C10H20N2O — CID 83817388

IUPAC1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol
SMILESCN1CCC(C2(O)CN(C)C2)CC1
InChIInChI=1S/C10H20N2O/c1-11-5-3-9(4-6-11)10(13)7-12(2)8-10/h9,13H,3-8H2,1-2H3
InChIKeyMTBMASQNCZXGQE-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.00
Rot. Bonds1

About 1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol

1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol (PubChem CID 83817388) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol
PubChem CID83817388
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol
SMILESCN1CCC(C2(O)CN(C)C2)CC1
InChIInChI=1S/C10H20N2O/c1-11-5-3-9(4-6-11)10(13)7-12(2)8-10/h9,13H,3-8H2,1-2H3
InChIKeyMTBMASQNCZXGQE-UHFFFAOYSA-N
XLogP0.00
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol?
The IUPAC name of 1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol (CID 83817388) is 1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol.
What is the SMILES notation for 1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol?
The canonical SMILES for 1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol is CN1CCC(C2(O)CN(C)C2)CC1.
What is the InChIKey of 1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol?
The InChIKey is MTBMASQNCZXGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11-5-3-9(4-6-11)10(13)7-12(2)8-10/h9,13H,3-8H2,1-2H3.
What are the key properties of 1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol?
1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol has a molecular weight of 184.28 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylpiperidin-4-yl)azetidin-3-ol is sourced from PubChem (CID 83817388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).