methyl 3-(methylamino)piperidine-3-carboxylate

C8H16N2O2 — CID 21303788

IUPACmethyl 3-(methylamino)piperidine-3-carboxylate
SMILESCNC1(C(=O)OC)CCCNC1
InChIInChI=1S/C8H16N2O2/c1-9-8(7(11)12-2)4-3-5-10-6-8/h9-10H,3-6H2,1-2H3
InChIKeyUHTQNPQZRFSXLY-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.50
Rot. Bonds2

About methyl 3-(methylamino)piperidine-3-carboxylate

methyl 3-(methylamino)piperidine-3-carboxylate (PubChem CID 21303788) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is methyl 3-(methylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methylamino)piperidine-3-carboxylate
PubChem CID21303788
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namemethyl 3-(methylamino)piperidine-3-carboxylate
SMILESCNC1(C(=O)OC)CCCNC1
InChIInChI=1S/C8H16N2O2/c1-9-8(7(11)12-2)4-3-5-10-6-8/h9-10H,3-6H2,1-2H3
InChIKeyUHTQNPQZRFSXLY-UHFFFAOYSA-N
XLogP-0.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-(methylamino)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 3-(methylamino)piperidine-3-carboxylate (CID 21303788) is methyl 3-(methylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 3-(methylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 3-(methylamino)piperidine-3-carboxylate is CNC1(C(=O)OC)CCCNC1.
What is the InChIKey of methyl 3-(methylamino)piperidine-3-carboxylate?
The InChIKey is UHTQNPQZRFSXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-8(7(11)12-2)4-3-5-10-6-8/h9-10H,3-6H2,1-2H3.
What are the key properties of methyl 3-(methylamino)piperidine-3-carboxylate?
methyl 3-(methylamino)piperidine-3-carboxylate has a molecular weight of 172.23 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylamino)piperidine-3-carboxylate is sourced from PubChem (CID 21303788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).