ethyl 2-piperidin-2-ylhexanoate

C13H25NO2 — CID 54152233

IUPACethyl 2-piperidin-2-ylhexanoate
SMILESCCCCC(C(=O)OCC)C1CCCCN1
InChIInChI=1S/C13H25NO2/c1-3-5-8-11(13(15)16-4-2)12-9-6-7-10-14-12/h11-12,14H,3-10H2,1-2H3
InChIKeyOINSGMKRLUVNBJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds6

About ethyl 2-piperidin-2-ylhexanoate

ethyl 2-piperidin-2-ylhexanoate (PubChem CID 54152233) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-piperidin-2-ylhexanoate.

Molecular Properties

Compound Nameethyl 2-piperidin-2-ylhexanoate
PubChem CID54152233
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-piperidin-2-ylhexanoate
SMILESCCCCC(C(=O)OCC)C1CCCCN1
InChIInChI=1S/C13H25NO2/c1-3-5-8-11(13(15)16-4-2)12-9-6-7-10-14-12/h11-12,14H,3-10H2,1-2H3
InChIKeyOINSGMKRLUVNBJ-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-2-ylhexanoate?
The IUPAC name of ethyl 2-piperidin-2-ylhexanoate (CID 54152233) is ethyl 2-piperidin-2-ylhexanoate.
What is the SMILES notation for ethyl 2-piperidin-2-ylhexanoate?
The canonical SMILES for ethyl 2-piperidin-2-ylhexanoate is CCCCC(C(=O)OCC)C1CCCCN1.
What is the InChIKey of ethyl 2-piperidin-2-ylhexanoate?
The InChIKey is OINSGMKRLUVNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-8-11(13(15)16-4-2)12-9-6-7-10-14-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of ethyl 2-piperidin-2-ylhexanoate?
ethyl 2-piperidin-2-ylhexanoate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-2-ylhexanoate is sourced from PubChem (CID 54152233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).