1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane

C11H23N3 — CID 167009896

IUPAC1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane
SMILESCN1CCC(N2CCCN(C)C2)CC1
InChIInChI=1S/C11H23N3/c1-12-8-4-11(5-9-12)14-7-3-6-13(2)10-14/h11H,3-10H2,1-2H3
InChIKeyOXPGIEPXLVRPAO-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.68
Rot. Bonds1

About 1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane

1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane (PubChem CID 167009896) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane.

Molecular Properties

Compound Name1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane
PubChem CID167009896
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane
SMILESCN1CCC(N2CCCN(C)C2)CC1
InChIInChI=1S/C11H23N3/c1-12-8-4-11(5-9-12)14-7-3-6-13(2)10-14/h11H,3-10H2,1-2H3
InChIKeyOXPGIEPXLVRPAO-UHFFFAOYSA-N
XLogP0.68
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane?
The IUPAC name of 1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane (CID 167009896) is 1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane.
What is the SMILES notation for 1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane?
The canonical SMILES for 1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane is CN1CCC(N2CCCN(C)C2)CC1.
What is the InChIKey of 1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane?
The InChIKey is OXPGIEPXLVRPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-12-8-4-11(5-9-12)14-7-3-6-13(2)10-14/h11H,3-10H2,1-2H3.
What are the key properties of 1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane?
1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane has a molecular weight of 197.33 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylpiperidin-4-yl)-1,3-diazinane is sourced from PubChem (CID 167009896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).