bis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride

C25H48Cl2N4O3 — CID 67573176

IUPACbis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride
SMILESCl.Cl.O=C(OCC(N1CCCCC1)N1CCCCC1)OCC(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C25H46N4O3.2ClH/c30-25(31-21-23(26-13-5-1-6-14-26)27-15-7-2-8-16-27)32-22-24(28-17-9-3-10-18-28)29-19-11-4-12-20-29;;/h23-24H,1-22H2;2*1H
InChIKeyGAVWADLPMXLTMK-UHFFFAOYSA-N
MW523.59 g/mol
LogP4.58
Rot. Bonds8

About bis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride

bis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride (PubChem CID 67573176) has the molecular formula C25H48Cl2N4O3 and a molecular weight of 523.59 g/mol. Its IUPAC name is bis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride.

Molecular Properties

Compound Namebis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride
PubChem CID67573176
Molecular FormulaC25H48Cl2N4O3
Molecular Weight523.59 g/mol
Exact Mass522.31
IUPAC Namebis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride
SMILESCl.Cl.O=C(OCC(N1CCCCC1)N1CCCCC1)OCC(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C25H46N4O3.2ClH/c30-25(31-21-23(26-13-5-1-6-14-26)27-15-7-2-8-16-27)32-22-24(28-17-9-3-10-18-28)29-19-11-4-12-20-29;;/h23-24H,1-22H2;2*1H
InChIKeyGAVWADLPMXLTMK-UHFFFAOYSA-N
XLogP4.58
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.59
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride?
The IUPAC name of bis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride (CID 67573176) is bis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride.
What is the SMILES notation for bis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride?
The canonical SMILES for bis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride is Cl.Cl.O=C(OCC(N1CCCCC1)N1CCCCC1)OCC(N1CCCCC1)N1CCCCC1.
What is the InChIKey of bis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride?
The InChIKey is GAVWADLPMXLTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4O3.2ClH/c30-25(31-21-23(26-13-5-1-6-14-26)27-15-7-2-8-16-27)32-22-24(28-17-9-3-10-18-28)29-19-11-4-12-20-29;;/h23-24H,1-22H2;2*1H.
What are the key properties of bis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride?
bis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride has a molecular weight of 523.59 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride is sourced from PubChem (CID 67573176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).