2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid

C12H22N2O2 — CID 80996398

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid
SMILESCCC1CN(C2CCC2C(=O)O)CCN1C
InChIInChI=1S/C12H22N2O2/c1-3-9-8-14(7-6-13(9)2)11-5-4-10(11)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyWNSOARCTTFBMSD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.88
Rot. Bonds3

About 2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid

2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 80996398) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid
PubChem CID80996398
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid
SMILESCCC1CN(C2CCC2C(=O)O)CCN1C
InChIInChI=1S/C12H22N2O2/c1-3-9-8-14(7-6-13(9)2)11-5-4-10(11)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyWNSOARCTTFBMSD-UHFFFAOYSA-N
XLogP0.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid (CID 80996398) is 2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid is CCC1CN(C2CCC2C(=O)O)CCN1C.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is WNSOARCTTFBMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-9-8-14(7-6-13(9)2)11-5-4-10(11)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid?
2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80996398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).