1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane

C12H25N3 — CID 2846262

IUPAC1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane
SMILESCN1CCC(N2CCCN(C)CC2)CC1
InChIInChI=1S/C12H25N3/c1-13-6-3-7-15(11-10-13)12-4-8-14(2)9-5-12/h12H,3-11H2,1-2H3
InChIKeyXTBIZRILTZVKOH-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.72
Rot. Bonds1

About 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane

1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane (PubChem CID 2846262) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane
PubChem CID2846262
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane
SMILESCN1CCC(N2CCCN(C)CC2)CC1
InChIInChI=1S/C12H25N3/c1-13-6-3-7-15(11-10-13)12-4-8-14(2)9-5-12/h12H,3-11H2,1-2H3
InChIKeyXTBIZRILTZVKOH-UHFFFAOYSA-N
XLogP0.72
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane?
The IUPAC name of 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane (CID 2846262) is 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane.
What is the SMILES notation for 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane?
The canonical SMILES for 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane is CN1CCC(N2CCCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane?
The InChIKey is XTBIZRILTZVKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-13-6-3-7-15(11-10-13)12-4-8-14(2)9-5-12/h12H,3-11H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane?
1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane has a molecular weight of 211.35 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazepane is sourced from PubChem (CID 2846262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).