methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate

C11H20N2O2 — CID 60965523

IUPACmethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)9-13-6-4-12(5-7-13)8-10-2-3-10/h10H,2-9H2,1H3
InChIKeyMZAUYIPPGYGKBJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.19
Rot. Bonds4

About methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate

methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate (PubChem CID 60965523) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate
PubChem CID60965523
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)9-13-6-4-12(5-7-13)8-10-2-3-10/h10H,2-9H2,1H3
InChIKeyMZAUYIPPGYGKBJ-UHFFFAOYSA-N
XLogP0.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate (CID 60965523) is methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(CC2CC2)CC1.
What is the InChIKey of methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate?
The InChIKey is MZAUYIPPGYGKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-11(14)9-13-6-4-12(5-7-13)8-10-2-3-10/h10H,2-9H2,1H3.
What are the key properties of methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate?
methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate has a molecular weight of 212.29 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(cyclopropylmethyl)piperazin-1-yl]acetate is sourced from PubChem (CID 60965523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).