decanedioic acid;bis(piperidine)

C20H40N2O4 — CID 173189213

IUPACdecanedioic acid;bis(piperidine)
SMILESC1CCNCC1.C1CCNCC1.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.2C5H11N/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;2*1-2-4-6-5-3-1/h1-8H2,(H,11,12)(H,13,14);2*6H,1-5H2
InChIKeyCJSZXNIRJPAXCJ-UHFFFAOYSA-N
MW372.55 g/mol
LogP3.80
Rot. Bonds9

About decanedioic acid;bis(piperidine)

decanedioic acid;bis(piperidine) (PubChem CID 173189213) has the molecular formula C20H40N2O4 and a molecular weight of 372.55 g/mol. Its IUPAC name is decanedioic acid;bis(piperidine).

Molecular Properties

Compound Namedecanedioic acid;bis(piperidine)
PubChem CID173189213
Molecular FormulaC20H40N2O4
Molecular Weight372.55 g/mol
Exact Mass372.30
IUPAC Namedecanedioic acid;bis(piperidine)
SMILESC1CCNCC1.C1CCNCC1.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.2C5H11N/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;2*1-2-4-6-5-3-1/h1-8H2,(H,11,12)(H,13,14);2*6H,1-5H2
InChIKeyCJSZXNIRJPAXCJ-UHFFFAOYSA-N
XLogP3.80
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;azepane;nonanedioic acid
CID 67503607
decanoic acid;piperidine
CID 173189306
azepane;dodecanoic acid
CID 173452223
bis(hexanedioic acid);piperazine
CID 159642331
piperazine;tetradecanoic acid
CID 54603068
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294

Frequently Asked Questions

What is the IUPAC name of decanedioic acid;bis(piperidine)?
The IUPAC name of decanedioic acid;bis(piperidine) (CID 173189213) is decanedioic acid;bis(piperidine).
What is the SMILES notation for decanedioic acid;bis(piperidine)?
The canonical SMILES for decanedioic acid;bis(piperidine) is C1CCNCC1.C1CCNCC1.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of decanedioic acid;bis(piperidine)?
The InChIKey is CJSZXNIRJPAXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.2C5H11N/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;2*1-2-4-6-5-3-1/h1-8H2,(H,11,12)(H,13,14);2*6H,1-5H2.
What are the key properties of decanedioic acid;bis(piperidine)?
decanedioic acid;bis(piperidine) has a molecular weight of 372.55 g/mol, XLogP of 3.80, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;bis(piperidine) is sourced from PubChem (CID 173189213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).