1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride

C10H21Cl2N3O — CID 71758230

IUPAC1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride
SMILESCN1CCCC(N2CCNCC2=O)C1.Cl.Cl
InChIInChI=1S/C10H19N3O.2ClH/c1-12-5-2-3-9(8-12)13-6-4-11-7-10(13)14;;/h9,11H,2-8H2,1H3;2*1H
InChIKeyJHCFXEUUQHTJDI-UHFFFAOYSA-N
MW270.20 g/mol
LogP0.36
Rot. Bonds1

About 1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride

1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride (PubChem CID 71758230) has the molecular formula C10H21Cl2N3O and a molecular weight of 270.20 g/mol. Its IUPAC name is 1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride
PubChem CID71758230
Molecular FormulaC10H21Cl2N3O
Molecular Weight270.20 g/mol
Exact Mass269.11
IUPAC Name1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride
SMILESCN1CCCC(N2CCNCC2=O)C1.Cl.Cl
InChIInChI=1S/C10H19N3O.2ClH/c1-12-5-2-3-9(8-12)13-6-4-11-7-10(13)14;;/h9,11H,2-8H2,1H3;2*1H
InChIKeyJHCFXEUUQHTJDI-UHFFFAOYSA-N
XLogP0.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride?
The IUPAC name of 1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride (CID 71758230) is 1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride.
What is the SMILES notation for 1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride?
The canonical SMILES for 1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride is CN1CCCC(N2CCNCC2=O)C1.Cl.Cl.
What is the InChIKey of 1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride?
The InChIKey is JHCFXEUUQHTJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.2ClH/c1-12-5-2-3-9(8-12)13-6-4-11-7-10(13)14;;/h9,11H,2-8H2,1H3;2*1H.
What are the key properties of 1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride?
1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride has a molecular weight of 270.20 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-3-yl)piperazin-2-one;dihydrochloride is sourced from PubChem (CID 71758230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).