2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid

C13H26N2O2 — CID 62312469

IUPAC2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid
SMILESCCCC(C)CN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-4-5-11(2)10-14-6-8-15(9-7-14)12(3)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyJNGNRMVSBPEHAQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.51
Rot. Bonds6

About 2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid

2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid (PubChem CID 62312469) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid
PubChem CID62312469
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid
SMILESCCCC(C)CN1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C13H26N2O2/c1-4-5-11(2)10-14-6-8-15(9-7-14)12(3)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyJNGNRMVSBPEHAQ-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-ethylbutyl)piperazin-1-yl]propanoic acid
CID 65062556
2-[4-(1-carboxyethyl)-7-(2-oxobutyl)-1,4,7-triazonan-1-yl]propanoic acid
CID 156732078
2-(4-nonylpiperazin-1-yl)propanoic acid
CID 62310084
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid
CID 63126221
2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid
CID 63989269
2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid
CID 106454666
2-[4-[methyl(pentan-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311696
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460
2-[4-(2-fluoroethyl)piperazin-1-yl]propanoic acid
CID 80695764
2-(4-octan-2-ylpiperazin-1-yl)propanoic acid
CID 65062156
2-(4-prop-2-ynylpiperazin-1-yl)propanoic acid
CID 62311285

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid (CID 62312469) is 2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid is CCCC(C)CN1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid?
The InChIKey is JNGNRMVSBPEHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-5-11(2)10-14-6-8-15(9-7-14)12(3)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid?
2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62312469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).