methyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride

C9H19ClN2O2 — CID 45264871

IUPACmethyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride
SMILESCOC(=O)CCN1CCN(C)CC1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-10-5-7-11(8-6-10)4-3-9(12)13-2;/h3-8H2,1-2H3;1H
InChIKeyVLGUPGONXHCCBM-UHFFFAOYSA-N
MW222.72 g/mol
LogP0.22
Rot. Bonds3

About methyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride

methyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride (PubChem CID 45264871) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is methyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride
PubChem CID45264871
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Namemethyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride
SMILESCOC(=O)CCN1CCN(C)CC1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-10-5-7-11(8-6-10)4-3-9(12)13-2;/h3-8H2,1-2H3;1H
InChIKeyVLGUPGONXHCCBM-UHFFFAOYSA-N
XLogP0.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride?
The IUPAC name of methyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride (CID 45264871) is methyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride is COC(=O)CCN1CCN(C)CC1.Cl.
What is the InChIKey of methyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride?
The InChIKey is VLGUPGONXHCCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c1-10-5-7-11(8-6-10)4-3-9(12)13-2;/h3-8H2,1-2H3;1H.
What are the key properties of methyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride?
methyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylpiperazin-1-yl)propanoate;hydrochloride is sourced from PubChem (CID 45264871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).