methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate

C13H24N2O2 — CID 117270104

IUPACmethyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(CC2CCCN(C)C2)CN1
InChIInChI=1S/C13H24N2O2/c1-15-5-3-4-10(9-15)6-11-7-12(14-8-11)13(16)17-2/h10-12,14H,3-9H2,1-2H3
InChIKeyCDYFOAHKHJAWIC-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds3

About methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate

methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 117270104) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID117270104
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(CC2CCCN(C)C2)CN1
InChIInChI=1S/C13H24N2O2/c1-15-5-3-4-10(9-15)6-11-7-12(14-8-11)13(16)17-2/h10-12,14H,3-9H2,1-2H3
InChIKeyCDYFOAHKHJAWIC-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate (CID 117270104) is methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1CC(CC2CCCN(C)C2)CN1.
What is the InChIKey of methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is CDYFOAHKHJAWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15-5-3-4-10(9-15)6-11-7-12(14-8-11)13(16)17-2/h10-12,14H,3-9H2,1-2H3.
What are the key properties of methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate?
methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 117270104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).