ethyl 1-methylpiperidine-2-carboxylate

C9H17NO2 — CID 566742

IUPACethyl 1-methylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C
InChIInChI=1S/C9H17NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h8H,3-7H2,1-2H3
InChIKeyZICBNHLULHJETL-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds2

About ethyl 1-methylpiperidine-2-carboxylate

ethyl 1-methylpiperidine-2-carboxylate (PubChem CID 566742) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 1-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methylpiperidine-2-carboxylate
PubChem CID566742
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 1-methylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C
InChIInChI=1S/C9H17NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h8H,3-7H2,1-2H3
InChIKeyZICBNHLULHJETL-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methylpiperidine-2-carboxylate?
The IUPAC name of ethyl 1-methylpiperidine-2-carboxylate (CID 566742) is ethyl 1-methylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-methylpiperidine-2-carboxylate?
The canonical SMILES for ethyl 1-methylpiperidine-2-carboxylate is CCOC(=O)C1CCCCN1C.
What is the InChIKey of ethyl 1-methylpiperidine-2-carboxylate?
The InChIKey is ZICBNHLULHJETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 1-methylpiperidine-2-carboxylate?
ethyl 1-methylpiperidine-2-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methylpiperidine-2-carboxylate is sourced from PubChem (CID 566742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).