dimethyl 2,7-di(piperidin-2-yl)octanedioate

C20H36N2O4 — CID 24840701

IUPACdimethyl 2,7-di(piperidin-2-yl)octanedioate
SMILESCOC(=O)C(CCCCC(C(=O)OC)C1CCCCN1)C1CCCCN1
InChIInChI=1S/C20H36N2O4/c1-25-19(23)15(17-11-5-7-13-21-17)9-3-4-10-16(20(24)26-2)18-12-6-8-14-22-18/h15-18,21-22H,3-14H2,1-2H3
InChIKeyOQFGLTDLZOERNM-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.41
Rot. Bonds9

About dimethyl 2,7-di(piperidin-2-yl)octanedioate

dimethyl 2,7-di(piperidin-2-yl)octanedioate (PubChem CID 24840701) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is dimethyl 2,7-di(piperidin-2-yl)octanedioate.

Molecular Properties

Compound Namedimethyl 2,7-di(piperidin-2-yl)octanedioate
PubChem CID24840701
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Namedimethyl 2,7-di(piperidin-2-yl)octanedioate
SMILESCOC(=O)C(CCCCC(C(=O)OC)C1CCCCN1)C1CCCCN1
InChIInChI=1S/C20H36N2O4/c1-25-19(23)15(17-11-5-7-13-21-17)9-3-4-10-16(20(24)26-2)18-12-6-8-14-22-18/h15-18,21-22H,3-14H2,1-2H3
InChIKeyOQFGLTDLZOERNM-UHFFFAOYSA-N
XLogP2.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,7-di(piperidin-2-yl)octanedioate?
The IUPAC name of dimethyl 2,7-di(piperidin-2-yl)octanedioate (CID 24840701) is dimethyl 2,7-di(piperidin-2-yl)octanedioate.
What is the SMILES notation for dimethyl 2,7-di(piperidin-2-yl)octanedioate?
The canonical SMILES for dimethyl 2,7-di(piperidin-2-yl)octanedioate is COC(=O)C(CCCCC(C(=O)OC)C1CCCCN1)C1CCCCN1.
What is the InChIKey of dimethyl 2,7-di(piperidin-2-yl)octanedioate?
The InChIKey is OQFGLTDLZOERNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-25-19(23)15(17-11-5-7-13-21-17)9-3-4-10-16(20(24)26-2)18-12-6-8-14-22-18/h15-18,21-22H,3-14H2,1-2H3.
What are the key properties of dimethyl 2,7-di(piperidin-2-yl)octanedioate?
dimethyl 2,7-di(piperidin-2-yl)octanedioate has a molecular weight of 368.52 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,7-di(piperidin-2-yl)octanedioate is sourced from PubChem (CID 24840701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).