4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride

C9H20Cl2N2O — CID 155893831

IUPAC4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride
SMILESCOC1CN(C2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C9H18N2O.2ClH/c1-12-9-6-11(7-9)8-2-4-10-5-3-8;;/h8-10H,2-7H2,1H3;2*1H
InChIKeyGSOAYKQFJJOVKT-UHFFFAOYSA-N
MW243.18 g/mol
LogP0.91
Rot. Bonds2

About 4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride

4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride (PubChem CID 155893831) has the molecular formula C9H20Cl2N2O and a molecular weight of 243.18 g/mol. Its IUPAC name is 4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride.

Molecular Properties

Compound Name4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride
PubChem CID155893831
Molecular FormulaC9H20Cl2N2O
Molecular Weight243.18 g/mol
Exact Mass242.10
IUPAC Name4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride
SMILESCOC1CN(C2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C9H18N2O.2ClH/c1-12-9-6-11(7-9)8-2-4-10-5-3-8;;/h8-10H,2-7H2,1H3;2*1H
InChIKeyGSOAYKQFJJOVKT-UHFFFAOYSA-N
XLogP0.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride?
The IUPAC name of 4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride (CID 155893831) is 4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride.
What is the SMILES notation for 4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride?
The canonical SMILES for 4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride is COC1CN(C2CCNCC2)C1.Cl.Cl.
What is the InChIKey of 4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride?
The InChIKey is GSOAYKQFJJOVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.2ClH/c1-12-9-6-11(7-9)8-2-4-10-5-3-8;;/h8-10H,2-7H2,1H3;2*1H.
What are the key properties of 4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride?
4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride has a molecular weight of 243.18 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyazetidin-1-yl)piperidine;dihydrochloride is sourced from PubChem (CID 155893831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).