methyl 1,4-dimethylpiperidine-2-carboxylate

C9H17NO2 — CID 21341734

IUPACmethyl 1,4-dimethylpiperidine-2-carboxylate
SMILESCOC(=O)C1CC(C)CCN1C
InChIInChI=1S/C9H17NO2/c1-7-4-5-10(2)8(6-7)9(11)12-3/h7-8H,4-6H2,1-3H3
InChIKeyDAVGLUQYXJIWGF-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds1

About methyl 1,4-dimethylpiperidine-2-carboxylate

methyl 1,4-dimethylpiperidine-2-carboxylate (PubChem CID 21341734) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 1,4-dimethylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-dimethylpiperidine-2-carboxylate
PubChem CID21341734
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 1,4-dimethylpiperidine-2-carboxylate
SMILESCOC(=O)C1CC(C)CCN1C
InChIInChI=1S/C9H17NO2/c1-7-4-5-10(2)8(6-7)9(11)12-3/h7-8H,4-6H2,1-3H3
InChIKeyDAVGLUQYXJIWGF-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dimethylpiperidine-2-carboxylate?
The IUPAC name of methyl 1,4-dimethylpiperidine-2-carboxylate (CID 21341734) is methyl 1,4-dimethylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 1,4-dimethylpiperidine-2-carboxylate?
The canonical SMILES for methyl 1,4-dimethylpiperidine-2-carboxylate is COC(=O)C1CC(C)CCN1C.
What is the InChIKey of methyl 1,4-dimethylpiperidine-2-carboxylate?
The InChIKey is DAVGLUQYXJIWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-4-5-10(2)8(6-7)9(11)12-3/h7-8H,4-6H2,1-3H3.
What are the key properties of methyl 1,4-dimethylpiperidine-2-carboxylate?
methyl 1,4-dimethylpiperidine-2-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dimethylpiperidine-2-carboxylate is sourced from PubChem (CID 21341734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).