1,3-dioxolane;2-methylpiperazine

C8H18N2O2 — CID 68551241

IUPAC1,3-dioxolane;2-methylpiperazine
SMILESC1COCO1.CC1CNCCN1
InChIInChI=1S/C5H12N2.C3H6O2/c1-5-4-6-2-3-7-5;1-2-5-3-4-1/h5-7H,2-4H2,1H3;1-3H2
InChIKeyCZHQDJWEEWLQPE-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.44
Rot. Bonds

About 1,3-dioxolane;2-methylpiperazine

1,3-dioxolane;2-methylpiperazine (PubChem CID 68551241) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1,3-dioxolane;2-methylpiperazine.

Molecular Properties

Compound Name1,3-dioxolane;2-methylpiperazine
PubChem CID68551241
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1,3-dioxolane;2-methylpiperazine
SMILESC1COCO1.CC1CNCCN1
InChIInChI=1S/C5H12N2.C3H6O2/c1-5-4-6-2-3-7-5;1-2-5-3-4-1/h5-7H,2-4H2,1H3;1-3H2
InChIKeyCZHQDJWEEWLQPE-UHFFFAOYSA-N
XLogP-0.44
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-Dioxolan-2-yl)ethyl]piperazine
CID 2760435
2-(1,3-Dioxolan-2-ylmethyl)piperazine
CID 66610084
2-[Methoxy(2-methoxyethoxy)methyl]piperazine
CID 69193286
2-(2-Methoxy-ethoxymethoxymethyl)-piperazine
CID 69193287
1,3-Dioxolane;piperazine
CID 161807732
1-[2-(1,3-Dioxolan-2-yl)ethyl]piperazin-1-ium
CID 173437163
1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine
CID 174090103
1-[2-(1,3-Dioxolan-2-yl)ethyl]piperazine-1,4-diium
CID 7016843
1-[1-(1,3-Dioxolan-2-yl)propan-2-yl]piperazine
CID 84006531

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolane;2-methylpiperazine?
The IUPAC name of 1,3-dioxolane;2-methylpiperazine (CID 68551241) is 1,3-dioxolane;2-methylpiperazine.
What is the SMILES notation for 1,3-dioxolane;2-methylpiperazine?
The canonical SMILES for 1,3-dioxolane;2-methylpiperazine is C1COCO1.CC1CNCCN1.
What is the InChIKey of 1,3-dioxolane;2-methylpiperazine?
The InChIKey is CZHQDJWEEWLQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C3H6O2/c1-5-4-6-2-3-7-5;1-2-5-3-4-1/h5-7H,2-4H2,1H3;1-3H2.
What are the key properties of 1,3-dioxolane;2-methylpiperazine?
1,3-dioxolane;2-methylpiperazine has a molecular weight of 174.24 g/mol, XLogP of -0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolane;2-methylpiperazine is sourced from PubChem (CID 68551241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).