1,3-dioxolane;1-methylpiperidine

C9H19NO2 — CID 90696822

IUPAC1,3-dioxolane;1-methylpiperidine
SMILESC1COCO1.CN1CCCCC1
InChIInChI=1S/C6H13N.C3H6O2/c1-7-5-3-2-4-6-7;1-2-5-3-4-1/h2-6H2,1H3;1-3H2
InChIKeyXDENWRJSJMGLOH-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.09
Rot. Bonds

About 1,3-dioxolane;1-methylpiperidine

1,3-dioxolane;1-methylpiperidine (PubChem CID 90696822) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1,3-dioxolane;1-methylpiperidine.

Molecular Properties

Compound Name1,3-dioxolane;1-methylpiperidine
PubChem CID90696822
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1,3-dioxolane;1-methylpiperidine
SMILESC1COCO1.CN1CCCCC1
InChIInChI=1S/C6H13N.C3H6O2/c1-7-5-3-2-4-6-7;1-2-5-3-4-1/h2-6H2,1H3;1-3H2
InChIKeyXDENWRJSJMGLOH-UHFFFAOYSA-N
XLogP1.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-methylpiperidine
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1-methylpiperidine
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ethane;1-methylazonane
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methane;1-methylpiperidine;bis(1-methylpyrrolidine)
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CID 68772535
CID 68772535
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
methane;tris(1-methylpiperidine)
CID 162076357
1-methylpiperidine;tris(2-methylpropane);1-methylpyrrolidine;oxane
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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolane;1-methylpiperidine?
The IUPAC name of 1,3-dioxolane;1-methylpiperidine (CID 90696822) is 1,3-dioxolane;1-methylpiperidine.
What is the SMILES notation for 1,3-dioxolane;1-methylpiperidine?
The canonical SMILES for 1,3-dioxolane;1-methylpiperidine is C1COCO1.CN1CCCCC1.
What is the InChIKey of 1,3-dioxolane;1-methylpiperidine?
The InChIKey is XDENWRJSJMGLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C3H6O2/c1-7-5-3-2-4-6-7;1-2-5-3-4-1/h2-6H2,1H3;1-3H2.
What are the key properties of 1,3-dioxolane;1-methylpiperidine?
1,3-dioxolane;1-methylpiperidine has a molecular weight of 173.26 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolane;1-methylpiperidine is sourced from PubChem (CID 90696822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).