ethyl piperidine-2-carboxylate

C8H15NO2 — CID 27517

IUPACethyl piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1
InChIInChI=1S/C8H15NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3
InChIKeySZIKRGHFZTYTIT-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds2

About ethyl piperidine-2-carboxylate

ethyl piperidine-2-carboxylate (PubChem CID 27517) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl piperidine-2-carboxylate
PubChem CID27517
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1
InChIInChI=1S/C8H15NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3
InChIKeySZIKRGHFZTYTIT-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl piperidine-2-carboxylate?
The IUPAC name of ethyl piperidine-2-carboxylate (CID 27517) is ethyl piperidine-2-carboxylate.
What is the SMILES notation for ethyl piperidine-2-carboxylate?
The canonical SMILES for ethyl piperidine-2-carboxylate is CCOC(=O)C1CCCCN1.
What is the InChIKey of ethyl piperidine-2-carboxylate?
The InChIKey is SZIKRGHFZTYTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h7,9H,2-6H2,1H3.
What are the key properties of ethyl piperidine-2-carboxylate?
ethyl piperidine-2-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl piperidine-2-carboxylate is sourced from PubChem (CID 27517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).