methyl 4-methylpiperidine-4-carboxylate

C8H15NO2 — CID 51072294

IUPACmethyl 4-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(C)CCNCC1
InChIInChI=1S/C8H15NO2/c1-8(7(10)11-2)3-5-9-6-4-8/h9H,3-6H2,1-2H3
InChIKeyKMROKLMQVGAOMJ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds1

About methyl 4-methylpiperidine-4-carboxylate

methyl 4-methylpiperidine-4-carboxylate (PubChem CID 51072294) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 4-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-methylpiperidine-4-carboxylate
PubChem CID51072294
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 4-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(C)CCNCC1
InChIInChI=1S/C8H15NO2/c1-8(7(10)11-2)3-5-9-6-4-8/h9H,3-6H2,1-2H3
InChIKeyKMROKLMQVGAOMJ-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-methylpiperidine-4-carboxylate (CID 51072294) is methyl 4-methylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-methylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-methylpiperidine-4-carboxylate is COC(=O)C1(C)CCNCC1.
What is the InChIKey of methyl 4-methylpiperidine-4-carboxylate?
The InChIKey is KMROKLMQVGAOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(7(10)11-2)3-5-9-6-4-8/h9H,3-6H2,1-2H3.
What are the key properties of methyl 4-methylpiperidine-4-carboxylate?
methyl 4-methylpiperidine-4-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylpiperidine-4-carboxylate is sourced from PubChem (CID 51072294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).