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

C19H36Cl2N2O4 — CID 24838597

IUPACdimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride
SMILESCOC(=O)C(CCCC(C(=O)OC)C1CCCCN1)C1CCCCN1.Cl.Cl
InChIInChI=1S/C19H34N2O4.2ClH/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;2*1H
InChIKeyPBAMOPLTROENEI-UHFFFAOYSA-N
MW427.41 g/mol
LogP2.86
Rot. Bonds8

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

dimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride (PubChem CID 24838597) has the molecular formula C19H36Cl2N2O4 and a molecular weight of 427.41 g/mol. Its IUPAC name is dimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride.

Molecular Properties

Compound Namedimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride
PubChem CID24838597
Molecular FormulaC19H36Cl2N2O4
Molecular Weight427.41 g/mol
Exact Mass426.21
IUPAC Namedimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride
SMILESCOC(=O)C(CCCC(C(=O)OC)C1CCCCN1)C1CCCCN1.Cl.Cl
InChIInChI=1S/C19H34N2O4.2ClH/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;2*1H
InChIKeyPBAMOPLTROENEI-UHFFFAOYSA-N
XLogP2.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 52.86
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;dihydrochloride?
The IUPAC name of dimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride (CID 24838597) is dimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride.
What is the SMILES notation for dimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride?
The canonical SMILES for dimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride is COC(=O)C(CCCC(C(=O)OC)C1CCCCN1)C1CCCCN1.Cl.Cl.
What is the InChIKey of dimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride?
The InChIKey is PBAMOPLTROENEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4.2ClH/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;2*1H.
What are the key properties of dimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride?
dimethyl 2,6-di(piperidin-2-yl)heptanedioate;dihydrochloride has a molecular weight of 427.41 g/mol, XLogP of 2.86, 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;dihydrochloride is sourced from PubChem (CID 24838597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).