5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid

C10H21N2O2+ — CID 70330548

IUPAC5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid
SMILESC[N+]1(CCCCC(=O)O)CCNCC1
InChIInChI=1S/C10H20N2O2/c1-12(8-5-11-6-9-12)7-3-2-4-10(13)14/h11H,2-9H2,1H3/p+1
InChIKeyAQDOGRICLXMJEM-UHFFFAOYSA-O
MW201.29 g/mol
LogP0.29
Rot. Bonds5

About 5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid

5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid (PubChem CID 70330548) has the molecular formula C10H21N2O2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid
PubChem CID70330548
Molecular FormulaC10H21N2O2+
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Name5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid
SMILESC[N+]1(CCCCC(=O)O)CCNCC1
InChIInChI=1S/C10H20N2O2/c1-12(8-5-11-6-9-12)7-3-2-4-10(13)14/h11H,2-9H2,1H3/p+1
InChIKeyAQDOGRICLXMJEM-UHFFFAOYSA-O
XLogP0.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(hexanedioic acid);piperazine
CID 159642331
piperazine;tetradecanoic acid
CID 54603068
decanedioic acid;bis(piperidine)
CID 173189213
azane;azepane;nonanedioic acid
CID 67503607
trimethoxy-[3-(1-methylpiperazin-1-ium-1-yl)propyl]silane
CID 19900973
decanoic acid;piperidine
CID 173189306
azepane;dodecanoic acid
CID 173452223
potassium 10-(1-methylpyrrolidin-1-ium-1-yl)decanoate
CID 171431775
methanol;tridecanedioic acid
CID 175511493
hexanedioic acid;propan-2-one
CID 158520683
6-piperazin-1-ylhexanoic acid
CID 54010280
2-methyl-2-piperidin-4-yldecanedioic acid
CID 67134863

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid?
The IUPAC name of 5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid (CID 70330548) is 5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid.
What is the SMILES notation for 5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid?
The canonical SMILES for 5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid is C[N+]1(CCCCC(=O)O)CCNCC1.
What is the InChIKey of 5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid?
The InChIKey is AQDOGRICLXMJEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20N2O2/c1-12(8-5-11-6-9-12)7-3-2-4-10(13)14/h11H,2-9H2,1H3/p+1.
What are the key properties of 5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid?
5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid has a molecular weight of 201.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperazin-1-ium-1-yl)pentanoic acid is sourced from PubChem (CID 70330548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).