bis(hexanedioic acid);piperazine

C16H30N2O8 — CID 159642331

IUPACbis(hexanedioic acid);piperazine
SMILESC1CNCCN1.O=C(O)CCCCC(=O)O.O=C(O)CCCCC(=O)O
InChIInChI=1S/2C6H10O4.C4H10N2/c2*7-5(8)3-1-2-4-6(9)10;1-2-6-4-3-5-1/h2*1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2
InChIKeyMQNAARVIYHIGGY-UHFFFAOYSA-N
MW378.42 g/mol
LogP0.61
Rot. Bonds10

About bis(hexanedioic acid);piperazine

bis(hexanedioic acid);piperazine (PubChem CID 159642331) has the molecular formula C16H30N2O8 and a molecular weight of 378.42 g/mol. Its IUPAC name is bis(hexanedioic acid);piperazine.

Molecular Properties

Compound Namebis(hexanedioic acid);piperazine
PubChem CID159642331
Molecular FormulaC16H30N2O8
Molecular Weight378.42 g/mol
Exact Mass378.20
IUPAC Namebis(hexanedioic acid);piperazine
SMILESC1CNCCN1.O=C(O)CCCCC(=O)O.O=C(O)CCCCC(=O)O
InChIInChI=1S/2C6H10O4.C4H10N2/c2*7-5(8)3-1-2-4-6(9)10;1-2-6-4-3-5-1/h2*1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2
InChIKeyMQNAARVIYHIGGY-UHFFFAOYSA-N
XLogP0.61
TPSA173.26 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 50.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

piperazine;tetradecanoic acid
CID 54603068
decanedioic acid;bis(piperidine)
CID 173189213
azane;azepane;nonanedioic acid
CID 67503607
6-piperazin-1-ylhexanoic acid
CID 54010280
azane;hexanedioic acid
CID 14323449
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033

Frequently Asked Questions

What is the IUPAC name of bis(hexanedioic acid);piperazine?
The IUPAC name of bis(hexanedioic acid);piperazine (CID 159642331) is bis(hexanedioic acid);piperazine.
What is the SMILES notation for bis(hexanedioic acid);piperazine?
The canonical SMILES for bis(hexanedioic acid);piperazine is C1CNCCN1.O=C(O)CCCCC(=O)O.O=C(O)CCCCC(=O)O.
What is the InChIKey of bis(hexanedioic acid);piperazine?
The InChIKey is MQNAARVIYHIGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10O4.C4H10N2/c2*7-5(8)3-1-2-4-6(9)10;1-2-6-4-3-5-1/h2*1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2.
What are the key properties of bis(hexanedioic acid);piperazine?
bis(hexanedioic acid);piperazine has a molecular weight of 378.42 g/mol, XLogP of 0.61, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hexanedioic acid);piperazine is sourced from PubChem (CID 159642331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).