1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine

C10H20N2O2 — CID 130160141

IUPAC1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine
SMILESCN1CCN(CC2CCOCO2)CC1
InChIInChI=1S/C10H20N2O2/c1-11-3-5-12(6-4-11)8-10-2-7-13-9-14-10/h10H,2-9H2,1H3
InChIKeyQAVRCEYWDUDSJW-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.00
Rot. Bonds2

About 1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine

1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine (PubChem CID 130160141) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine
PubChem CID130160141
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine
SMILESCN1CCN(CC2CCOCO2)CC1
InChIInChI=1S/C10H20N2O2/c1-11-3-5-12(6-4-11)8-10-2-7-13-9-14-10/h10H,2-9H2,1H3
InChIKeyQAVRCEYWDUDSJW-UHFFFAOYSA-N
XLogP-0.00
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine
CID 63596930
N-(1,3-dioxan-4-ylmethyl)-4-methylpiperazin-1-amine
CID 83021019
1-(1,3-dioxan-4-ylmethyl)piperidin-3-amine
CID 61295949
4-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,4-oxazepane
CID 54379759
2-[(4-methylpiperazin-1-yl)methyl]morpholine
CID 14627568
N-(1,3-dioxan-4-ylmethyl)-2-morpholin-4-ylethanamine
CID 81101551
(4R)-4-(bromomethyl)-1,3-dioxane
CID 97184612
ethane;1-methyl-4-(oxolan-2-ylmethyl)piperazine;4-methylpiperazin-2-one
CID 171516221
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664
1-(1,3-dioxan-4-ylmethyl)pyrazole
CID 130668729
N-(1,3-dioxan-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 81100973
1-(1,3-dioxan-4-ylmethyl)-4-(3-nitrophenyl)sulfonylpiperazine
CID 75420340

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine?
The IUPAC name of 1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine (CID 130160141) is 1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine.
What is the SMILES notation for 1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine?
The canonical SMILES for 1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine is CN1CCN(CC2CCOCO2)CC1.
What is the InChIKey of 1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine?
The InChIKey is QAVRCEYWDUDSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-11-3-5-12(6-4-11)8-10-2-7-13-9-14-10/h10H,2-9H2,1H3.
What are the key properties of 1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine?
1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine has a molecular weight of 200.28 g/mol, XLogP of -0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-4-ylmethyl)-4-methylpiperazine is sourced from PubChem (CID 130160141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).