3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid

C12H24N2O2 — CID 62777980

IUPAC3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
SMILESCC(C)CN1CCN(C(C)CC(=O)O)CC1
InChIInChI=1S/C12H24N2O2/c1-10(2)9-13-4-6-14(7-5-13)11(3)8-12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyMIWWKPJZKLIUCL-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.12
Rot. Bonds5

About 3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid

3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid (PubChem CID 62777980) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
PubChem CID62777980
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
SMILESCC(C)CN1CCN(C(C)CC(=O)O)CC1
InChIInChI=1S/C12H24N2O2/c1-10(2)9-13-4-6-14(7-5-13)11(3)8-12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyMIWWKPJZKLIUCL-UHFFFAOYSA-N
XLogP1.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylpiperazin-1-yl)butanoic acid
CID 43537206
3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
CID 63572637
3-[4-(1-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 68522004
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride
CID 53420787
2-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
CID 79407898
3-(4-formylpiperazin-1-yl)butanoic acid
CID 82112365
4-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-ol
CID 64720384
3-(4-methylsulfonylpiperazin-1-yl)butanoic acid
CID 62993470
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
3-(4-aminopiperidin-1-yl)butanoic acid
CID 43556886
3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
CID 62777232

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid?
The IUPAC name of 3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid (CID 62777980) is 3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid is CC(C)CN1CCN(C(C)CC(=O)O)CC1.
What is the InChIKey of 3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid?
The InChIKey is MIWWKPJZKLIUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)9-13-4-6-14(7-5-13)11(3)8-12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid?
3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 62777980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).