methyl 1-piperidin-4-ylpyrrolidine-3-carboxylate

C11H20N2O2 — CID 19261407

IUPACmethyl 1-piperidin-4-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C2CCNCC2)C1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)9-4-7-13(8-9)10-2-5-12-6-3-10/h9-10,12H,2-8H2,1H3
InChIKeyIQBYFGCUYUSBFV-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds2

About methyl 1-piperidin-4-ylpyrrolidine-3-carboxylate

methyl 1-piperidin-4-ylpyrrolidine-3-carboxylate (PubChem CID 19261407) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 1-piperidin-4-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-piperidin-4-ylpyrrolidine-3-carboxylate
PubChem CID19261407
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 1-piperidin-4-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C2CCNCC2)C1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)9-4-7-13(8-9)10-2-5-12-6-3-10/h9-10,12H,2-8H2,1H3
InChIKeyIQBYFGCUYUSBFV-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-piperidin-4-ylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-piperidin-4-ylpyrrolidine-3-carboxylate (CID 19261407) is methyl 1-piperidin-4-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-piperidin-4-ylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-piperidin-4-ylpyrrolidine-3-carboxylate is COC(=O)C1CCN(C2CCNCC2)C1.
What is the InChIKey of methyl 1-piperidin-4-ylpyrrolidine-3-carboxylate?
The InChIKey is IQBYFGCUYUSBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-11(14)9-4-7-13(8-9)10-2-5-12-6-3-10/h9-10,12H,2-8H2,1H3.
What are the key properties of methyl 1-piperidin-4-ylpyrrolidine-3-carboxylate?
methyl 1-piperidin-4-ylpyrrolidine-3-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-piperidin-4-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 19261407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).