5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid

C12H24N2O2 — CID 63608884

IUPAC5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
SMILESCN1CCN(CCCCC(=O)O)CC1(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2)10-14(9-8-13(12)3)7-5-4-6-11(15)16/h4-10H2,1-3H3,(H,15,16)
InChIKeyAVBWIPGWRQYAEO-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.27
Rot. Bonds5

About 5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid

5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid (PubChem CID 63608884) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
PubChem CID63608884
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
SMILESCN1CCN(CCCCC(=O)O)CC1(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2)10-14(9-8-13(12)3)7-5-4-6-11(15)16/h4-10H2,1-3H3,(H,15,16)
InChIKeyAVBWIPGWRQYAEO-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one
CID 63635156
2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 65254593
5-(3,3-diethylazetidin-1-yl)pentanoic acid
CID 79694469
6-(aziridin-1-yl)hexanoic acid
CID 141385441
5-(3-fluoro-3-methylpyrrolidin-1-yl)pentanoic acid
CID 163404212
4-(2,2-dimethylmorpholin-4-yl)butanoic acid
CID 43593005
2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63635964
6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
CID 63608610
1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63608644
4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one
CID 114228996
4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide
CID 63610574
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid (CID 63608884) is 5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid is CN1CCN(CCCCC(=O)O)CC1(C)C.
What is the InChIKey of 5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid?
The InChIKey is AVBWIPGWRQYAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2)10-14(9-8-13(12)3)7-5-4-6-11(15)16/h4-10H2,1-3H3,(H,15,16).
What are the key properties of 5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid?
5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 63608884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).