Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate

C10H18N2O2 — CID 177798120

IUPACmethyl 2-(3-cyclopropylpiperazin-1-yl)acetate
SMILESCOC(=O)CN1CCNC(C1)C2CC2
InChIInChI=1S/C10H18N2O2/c1-14-10(13)7-12-5-4-11-9(6-12)8-2-3-8/h8-9,11H,2-7H2,1H3
InChIKeyOFDVLEAAMBVXQK-UHFFFAOYSA-N
MW198.26 g/mol
LogP0.30
Rot. Bonds4

About Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate

Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate (PubChem CID 177798120) has the molecular formula C10H18N2O2 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl 2-(3-cyclopropylpiperazin-1-yl)acetate.

Molecular Properties

Compound NameMethyl 2-(3-cyclopropylpiperazin-1-yl)acetate
PubChem CID177798120
Molecular FormulaC10H18N2O2
Molecular Weight198.26 g/mol
Exact Mass198.14
IUPAC Namemethyl 2-(3-cyclopropylpiperazin-1-yl)acetate
SMILESCOC(=O)CN1CCNC(C1)C2CC2
InChIInChI=1S/C10H18N2O2/c1-14-10(13)7-12-5-4-11-9(6-12)8-2-3-8/h8-9,11H,2-7H2,1H3
InChIKeyOFDVLEAAMBVXQK-UHFFFAOYSA-N
XLogP0.30
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity216

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate?
The IUPAC name of Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate (CID 177798120) is methyl 2-(3-cyclopropylpiperazin-1-yl)acetate.
What is the SMILES notation for Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate?
The canonical SMILES for Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate is COC(=O)CN1CCNC(C1)C2CC2.
What is the InChIKey of Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate?
The InChIKey is OFDVLEAAMBVXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-14-10(13)7-12-5-4-11-9(6-12)8-2-3-8/h8-9,11H,2-7H2,1H3.
What are the key properties of Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate?
Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate has a molecular weight of 198.26 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate is sourced from PubChem (CID 177798120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).