methyl 3-(methylamino)piperidine-1-carboxylate

C8H16N2O2 — CID 20770667

IUPACmethyl 3-(methylamino)piperidine-1-carboxylate
SMILESCNC1CCCN(C(=O)OC)C1
InChIInChI=1S/C8H16N2O2/c1-9-7-4-3-5-10(6-7)8(11)12-2/h7,9H,3-6H2,1-2H3
InChIKeyDATYYRQCTIZHJG-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.44
Rot. Bonds1

About methyl 3-(methylamino)piperidine-1-carboxylate

methyl 3-(methylamino)piperidine-1-carboxylate (PubChem CID 20770667) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is methyl 3-(methylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methylamino)piperidine-1-carboxylate
PubChem CID20770667
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namemethyl 3-(methylamino)piperidine-1-carboxylate
SMILESCNC1CCCN(C(=O)OC)C1
InChIInChI=1S/C8H16N2O2/c1-9-7-4-3-5-10(6-7)8(11)12-2/h7,9H,3-6H2,1-2H3
InChIKeyDATYYRQCTIZHJG-UHFFFAOYSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(methylamino)piperidine-1-carboxylate (CID 20770667) is methyl 3-(methylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(methylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(methylamino)piperidine-1-carboxylate is CNC1CCCN(C(=O)OC)C1.
What is the InChIKey of methyl 3-(methylamino)piperidine-1-carboxylate?
The InChIKey is DATYYRQCTIZHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-7-4-3-5-10(6-7)8(11)12-2/h7,9H,3-6H2,1-2H3.
What are the key properties of methyl 3-(methylamino)piperidine-1-carboxylate?
methyl 3-(methylamino)piperidine-1-carboxylate has a molecular weight of 172.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylamino)piperidine-1-carboxylate is sourced from PubChem (CID 20770667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).