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

C25H46N4O3 — CID 57220669

IUPACbis[2,2-di(piperidin-1-yl)ethyl] carbonate
SMILESO=C(OCC(N1CCCCC1)N1CCCCC1)OCC(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C25H46N4O3/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
InChIKeyCYNNHHJSHGCWHI-UHFFFAOYSA-N
MW450.67 g/mol
LogP3.74
Rot. Bonds8

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

bis[2,2-di(piperidin-1-yl)ethyl] carbonate (PubChem CID 57220669) has the molecular formula C25H46N4O3 and a molecular weight of 450.67 g/mol. Its IUPAC name is bis[2,2-di(piperidin-1-yl)ethyl] carbonate.

Molecular Properties

Compound Namebis[2,2-di(piperidin-1-yl)ethyl] carbonate
PubChem CID57220669
Molecular FormulaC25H46N4O3
Molecular Weight450.67 g/mol
Exact Mass450.36
IUPAC Namebis[2,2-di(piperidin-1-yl)ethyl] carbonate
SMILESO=C(OCC(N1CCCCC1)N1CCCCC1)OCC(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C25H46N4O3/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
InChIKeyCYNNHHJSHGCWHI-UHFFFAOYSA-N
XLogP3.74
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.67
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,5-Tris[4-(morpholin-4-yl)butyl]-1,3,5-triazinane
CID 350167
Bis(2,2-dimorpholin-4-ylethyl) carbonate
CID 57080338
4-[2-[3-(2-Morpholin-4-ylethyl)-5-(2-piperidin-1-ylethyl)-1,3,5-triazinan-1-yl]ethyl]morpholine
CID 59307204
Bis[2,2-di(piperidin-1-yl)ethyl] carbonate;dihydrochloride
CID 67573176
Bis(2,2-dimorpholin-4-ylethyl) carbonate;dihydrochloride
CID 67573551
Bis[1,1-di(piperidin-1-yl)ethyl] carbonate
CID 67574010
Bis(1,1-dimorpholin-4-ylethyl) carbonate
CID 70273238
1-[2-[2,2-Di(piperidin-1-yl)ethoxy]-1-piperidin-1-ylethyl]piperidine
CID 175168890

Frequently Asked Questions

What is the IUPAC name of bis[2,2-di(piperidin-1-yl)ethyl] carbonate?
The IUPAC name of bis[2,2-di(piperidin-1-yl)ethyl] carbonate (CID 57220669) is bis[2,2-di(piperidin-1-yl)ethyl] carbonate.
What is the SMILES notation for bis[2,2-di(piperidin-1-yl)ethyl] carbonate?
The canonical SMILES for bis[2,2-di(piperidin-1-yl)ethyl] carbonate is O=C(OCC(N1CCCCC1)N1CCCCC1)OCC(N1CCCCC1)N1CCCCC1.
What is the InChIKey of bis[2,2-di(piperidin-1-yl)ethyl] carbonate?
The InChIKey is CYNNHHJSHGCWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4O3/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.
What are the key properties of bis[2,2-di(piperidin-1-yl)ethyl] carbonate?
bis[2,2-di(piperidin-1-yl)ethyl] carbonate has a molecular weight of 450.67 g/mol, XLogP of 3.74, 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 is sourced from PubChem (CID 57220669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).