ethyl 1-butylpiperidine-2-carboxylate

C12H23NO2 — CID 3021002

IUPACethyl 1-butylpiperidine-2-carboxylate
SMILESCCCCN1CCCCC1C(=O)OCC
InChIInChI=1S/C12H23NO2/c1-3-5-9-13-10-7-6-8-11(13)12(14)15-4-2/h11H,3-10H2,1-2H3
InChIKeyOAAXEKNPTNLHID-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds5

About ethyl 1-butylpiperidine-2-carboxylate

ethyl 1-butylpiperidine-2-carboxylate (PubChem CID 3021002) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 1-butylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-butylpiperidine-2-carboxylate
PubChem CID3021002
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 1-butylpiperidine-2-carboxylate
SMILESCCCCN1CCCCC1C(=O)OCC
InChIInChI=1S/C12H23NO2/c1-3-5-9-13-10-7-6-8-11(13)12(14)15-4-2/h11H,3-10H2,1-2H3
InChIKeyOAAXEKNPTNLHID-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-butylpiperidine-2-carboxylate?
The IUPAC name of ethyl 1-butylpiperidine-2-carboxylate (CID 3021002) is ethyl 1-butylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-butylpiperidine-2-carboxylate?
The canonical SMILES for ethyl 1-butylpiperidine-2-carboxylate is CCCCN1CCCCC1C(=O)OCC.
What is the InChIKey of ethyl 1-butylpiperidine-2-carboxylate?
The InChIKey is OAAXEKNPTNLHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-9-13-10-7-6-8-11(13)12(14)15-4-2/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 1-butylpiperidine-2-carboxylate?
ethyl 1-butylpiperidine-2-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-butylpiperidine-2-carboxylate is sourced from PubChem (CID 3021002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).