[(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride

C11H24Cl2N4O — CID 166607150

IUPAC[(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESC[C@@H]1CN(C(=O)N2CCN(C)CC2)CCN1.Cl.Cl
InChIInChI=1S/C11H22N4O.2ClH/c1-10-9-15(4-3-12-10)11(16)14-7-5-13(2)6-8-14;;/h10,12H,3-9H2,1-2H3;2*1H/t10-;;/m1../s1
InChIKeyAYCKCQGQNCJAMV-YQFADDPSSA-N
MW299.25 g/mol
LogP0.49
Rot. Bonds

About [(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride

[(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 166607150) has the molecular formula C11H24Cl2N4O and a molecular weight of 299.25 g/mol. Its IUPAC name is [(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID166607150
Molecular FormulaC11H24Cl2N4O
Molecular Weight299.25 g/mol
Exact Mass298.13
IUPAC Name[(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESC[C@@H]1CN(C(=O)N2CCN(C)CC2)CCN1.Cl.Cl
InChIInChI=1S/C11H22N4O.2ClH/c1-10-9-15(4-3-12-10)11(16)14-7-5-13(2)6-8-14;;/h10,12H,3-9H2,1-2H3;2*1H/t10-;;/m1../s1
InChIKeyAYCKCQGQNCJAMV-YQFADDPSSA-N
XLogP0.49
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride (CID 166607150) is [(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for [(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for [(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride is C[C@@H]1CN(C(=O)N2CCN(C)CC2)CCN1.Cl.Cl.
What is the InChIKey of [(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is AYCKCQGQNCJAMV-YQFADDPSSA-N. The full InChI is InChI=1S/C11H22N4O.2ClH/c1-10-9-15(4-3-12-10)11(16)14-7-5-13(2)6-8-14;;/h10,12H,3-9H2,1-2H3;2*1H/t10-;;/m1../s1.
What are the key properties of [(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride?
[(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 299.25 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylpiperazin-1-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 166607150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).