dimethyl 2,6-di(piperidin-2-yl)heptanedioate

C19H34N2O4 — CID 24838598

IUPACdimethyl 2,6-di(piperidin-2-yl)heptanedioate
SMILESCOC(=O)C(CCCC(C(=O)OC)C1CCCCN1)C1CCCCN1
InChIInChI=1S/C19H34N2O4/c1-24-18(22)14(16-10-3-5-12-20-16)8-7-9-15(19(23)25-2)17-11-4-6-13-21-17/h14-17,20-21H,3-13H2,1-2H3
InChIKeyLRHRTNSCYLUVEN-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.02
Rot. Bonds8

About dimethyl 2,6-di(piperidin-2-yl)heptanedioate

dimethyl 2,6-di(piperidin-2-yl)heptanedioate (PubChem CID 24838598) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is dimethyl 2,6-di(piperidin-2-yl)heptanedioate.

Molecular Properties

Compound Namedimethyl 2,6-di(piperidin-2-yl)heptanedioate
PubChem CID24838598
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Namedimethyl 2,6-di(piperidin-2-yl)heptanedioate
SMILESCOC(=O)C(CCCC(C(=O)OC)C1CCCCN1)C1CCCCN1
InChIInChI=1S/C19H34N2O4/c1-24-18(22)14(16-10-3-5-12-20-16)8-7-9-15(19(23)25-2)17-11-4-6-13-21-17/h14-17,20-21H,3-13H2,1-2H3
InChIKeyLRHRTNSCYLUVEN-UHFFFAOYSA-N
XLogP2.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-di(piperidin-2-yl)heptanedioate?
The IUPAC name of dimethyl 2,6-di(piperidin-2-yl)heptanedioate (CID 24838598) is dimethyl 2,6-di(piperidin-2-yl)heptanedioate.
What is the SMILES notation for dimethyl 2,6-di(piperidin-2-yl)heptanedioate?
The canonical SMILES for dimethyl 2,6-di(piperidin-2-yl)heptanedioate is COC(=O)C(CCCC(C(=O)OC)C1CCCCN1)C1CCCCN1.
What is the InChIKey of dimethyl 2,6-di(piperidin-2-yl)heptanedioate?
The InChIKey is LRHRTNSCYLUVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-24-18(22)14(16-10-3-5-12-20-16)8-7-9-15(19(23)25-2)17-11-4-6-13-21-17/h14-17,20-21H,3-13H2,1-2H3.
What are the key properties of dimethyl 2,6-di(piperidin-2-yl)heptanedioate?
dimethyl 2,6-di(piperidin-2-yl)heptanedioate has a molecular weight of 354.49 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-di(piperidin-2-yl)heptanedioate is sourced from PubChem (CID 24838598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).