methyl 3-(3-methylpiperazin-1-yl)propanoate

C9H18N2O2 — CID 65449770

IUPACmethyl 3-(3-methylpiperazin-1-yl)propanoate
SMILESCOC(=O)CCN1CCNC(C)C1
InChIInChI=1S/C9H18N2O2/c1-8-7-11(6-4-10-8)5-3-9(12)13-2/h8,10H,3-7H2,1-2H3
InChIKeyOXAZYWKNAZSLMW-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.16
Rot. Bonds3

About methyl 3-(3-methylpiperazin-1-yl)propanoate

methyl 3-(3-methylpiperazin-1-yl)propanoate (PubChem CID 65449770) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 3-(3-methylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-methylpiperazin-1-yl)propanoate
PubChem CID65449770
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl 3-(3-methylpiperazin-1-yl)propanoate
SMILESCOC(=O)CCN1CCNC(C)C1
InChIInChI=1S/C9H18N2O2/c1-8-7-11(6-4-10-8)5-3-9(12)13-2/h8,10H,3-7H2,1-2H3
InChIKeyOXAZYWKNAZSLMW-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methylpiperazin-1-yl)propanoate?
The IUPAC name of methyl 3-(3-methylpiperazin-1-yl)propanoate (CID 65449770) is methyl 3-(3-methylpiperazin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(3-methylpiperazin-1-yl)propanoate?
The canonical SMILES for methyl 3-(3-methylpiperazin-1-yl)propanoate is COC(=O)CCN1CCNC(C)C1.
What is the InChIKey of methyl 3-(3-methylpiperazin-1-yl)propanoate?
The InChIKey is OXAZYWKNAZSLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8-7-11(6-4-10-8)5-3-9(12)13-2/h8,10H,3-7H2,1-2H3.
What are the key properties of methyl 3-(3-methylpiperazin-1-yl)propanoate?
methyl 3-(3-methylpiperazin-1-yl)propanoate has a molecular weight of 186.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methylpiperazin-1-yl)propanoate is sourced from PubChem (CID 65449770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).