methyl 4-piperidin-1-ylpiperidine-1-carboxylate

C12H22N2O2 — CID 21359235

IUPACmethyl 4-piperidin-1-ylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)14-9-5-11(6-10-14)13-7-3-2-4-8-13/h11H,2-10H2,1H3
InChIKeyJVHQMAGPAVJBME-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.70
Rot. Bonds1

About methyl 4-piperidin-1-ylpiperidine-1-carboxylate

methyl 4-piperidin-1-ylpiperidine-1-carboxylate (PubChem CID 21359235) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 4-piperidin-1-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-piperidin-1-ylpiperidine-1-carboxylate
PubChem CID21359235
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl 4-piperidin-1-ylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)14-9-5-11(6-10-14)13-7-3-2-4-8-13/h11H,2-10H2,1H3
InChIKeyJVHQMAGPAVJBME-UHFFFAOYSA-N
XLogP1.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-piperidin-1-ylpiperidine-1-carboxylate?
The IUPAC name of methyl 4-piperidin-1-ylpiperidine-1-carboxylate (CID 21359235) is methyl 4-piperidin-1-ylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-piperidin-1-ylpiperidine-1-carboxylate?
The canonical SMILES for methyl 4-piperidin-1-ylpiperidine-1-carboxylate is COC(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of methyl 4-piperidin-1-ylpiperidine-1-carboxylate?
The InChIKey is JVHQMAGPAVJBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-12(15)14-9-5-11(6-10-14)13-7-3-2-4-8-13/h11H,2-10H2,1H3.
What are the key properties of methyl 4-piperidin-1-ylpiperidine-1-carboxylate?
methyl 4-piperidin-1-ylpiperidine-1-carboxylate has a molecular weight of 226.32 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-piperidin-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 21359235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).