2,2-di(piperidin-1-yl)decanedioic acid

C20H36N2O4 — CID 67207902

IUPAC2,2-di(piperidin-1-yl)decanedioic acid
SMILESO=C(O)CCCCCCCC(C(=O)O)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C20H36N2O4/c23-18(24)12-6-2-1-3-7-13-20(19(25)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h1-17H2,(H,23,24)(H,25,26)
InChIKeyVQKPVANFSQWOTC-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.55
Rot. Bonds11

About 2,2-di(piperidin-1-yl)decanedioic acid

2,2-di(piperidin-1-yl)decanedioic acid (PubChem CID 67207902) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2,2-di(piperidin-1-yl)decanedioic acid.

Molecular Properties

Compound Name2,2-di(piperidin-1-yl)decanedioic acid
PubChem CID67207902
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name2,2-di(piperidin-1-yl)decanedioic acid
SMILESO=C(O)CCCCCCCC(C(=O)O)(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C20H36N2O4/c23-18(24)12-6-2-1-3-7-13-20(19(25)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h1-17H2,(H,23,24)(H,25,26)
InChIKeyVQKPVANFSQWOTC-UHFFFAOYSA-N
XLogP3.55
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octane-1,1,1,8-tetracarboxylic acid
CID 18521141
2,2-di(cyclododecyl)dodecanedioic acid
CID 121470791
decanedioic acid;bis(piperidine)
CID 173189213
2,2-bis(2-hydroxyethyl)tridecanedioic acid
CID 87535723
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
tridecanedioic acid;undecanedioic acid
CID 158333715
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965

Frequently Asked Questions

What is the IUPAC name of 2,2-di(piperidin-1-yl)decanedioic acid?
The IUPAC name of 2,2-di(piperidin-1-yl)decanedioic acid (CID 67207902) is 2,2-di(piperidin-1-yl)decanedioic acid.
What is the SMILES notation for 2,2-di(piperidin-1-yl)decanedioic acid?
The canonical SMILES for 2,2-di(piperidin-1-yl)decanedioic acid is O=C(O)CCCCCCCC(C(=O)O)(N1CCCCC1)N1CCCCC1.
What is the InChIKey of 2,2-di(piperidin-1-yl)decanedioic acid?
The InChIKey is VQKPVANFSQWOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c23-18(24)12-6-2-1-3-7-13-20(19(25)26,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h1-17H2,(H,23,24)(H,25,26).
What are the key properties of 2,2-di(piperidin-1-yl)decanedioic acid?
2,2-di(piperidin-1-yl)decanedioic acid has a molecular weight of 368.52 g/mol, XLogP of 3.55, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(piperidin-1-yl)decanedioic acid is sourced from PubChem (CID 67207902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).