dipiperidin-4-yl carbonate

C11H20N2O3 — CID 129132812

IUPACdipiperidin-4-yl carbonate
SMILESO=C(OC1CCNCC1)OC1CCNCC1
InChIInChI=1S/C11H20N2O3/c14-11(15-9-1-5-12-6-2-9)16-10-3-7-13-8-4-10/h9-10,12-13H,1-8H2
InChIKeyCPGAYKQMVDMHCP-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.64
Rot. Bonds2

About dipiperidin-4-yl carbonate

dipiperidin-4-yl carbonate (PubChem CID 129132812) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is dipiperidin-4-yl carbonate.

Molecular Properties

Compound Namedipiperidin-4-yl carbonate
PubChem CID129132812
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namedipiperidin-4-yl carbonate
SMILESO=C(OC1CCNCC1)OC1CCNCC1
InChIInChI=1S/C11H20N2O3/c14-11(15-9-1-5-12-6-2-9)16-10-3-7-13-8-4-10/h9-10,12-13H,1-8H2
InChIKeyCPGAYKQMVDMHCP-UHFFFAOYSA-N
XLogP0.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl piperidin-4-yl carbonate;hydrochloride
CID 69353904
tert-butyl piperidin-4-yl carbonate
CID 22078382
ethane;piperidin-4-yl acetate
CID 144574283
piperidin-4-yl N-cyclobutylcarbamate
CID 116658988
piperidin-4-yl 4-fluorobenzoate
CID 22921983
piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride
CID 175355615
dicyclononyl carbonate
CID 139618210
piperidin-4-yl 2-methoxyacetate
CID 53410127
piperidin-4-yl pyridine-4-carboxylate
CID 53410138
piperidin-4-yl 3-cyclopropylpropanoate
CID 158472196
piperidin-4-yl pentanoate
CID 45091374
methane;piperidin-4-yl 2,2-dimethylbutanoate
CID 158089373

Frequently Asked Questions

What is the IUPAC name of dipiperidin-4-yl carbonate?
The IUPAC name of dipiperidin-4-yl carbonate (CID 129132812) is dipiperidin-4-yl carbonate.
What is the SMILES notation for dipiperidin-4-yl carbonate?
The canonical SMILES for dipiperidin-4-yl carbonate is O=C(OC1CCNCC1)OC1CCNCC1.
What is the InChIKey of dipiperidin-4-yl carbonate?
The InChIKey is CPGAYKQMVDMHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-11(15-9-1-5-12-6-2-9)16-10-3-7-13-8-4-10/h9-10,12-13H,1-8H2.
What are the key properties of dipiperidin-4-yl carbonate?
dipiperidin-4-yl carbonate has a molecular weight of 228.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipiperidin-4-yl carbonate is sourced from PubChem (CID 129132812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).