ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate

C13H25NO2 — CID 21418128

IUPACethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate
SMILESCCOC(=O)C(C)(C)CCN1CCCCC1
InChIInChI=1S/C13H25NO2/c1-4-16-12(15)13(2,3)8-11-14-9-6-5-7-10-14/h4-11H2,1-3H3
InChIKeyITGFPAPRIJHPRD-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds5

About ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate

ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate (PubChem CID 21418128) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate
PubChem CID21418128
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate
SMILESCCOC(=O)C(C)(C)CCN1CCCCC1
InChIInChI=1S/C13H25NO2/c1-4-16-12(15)13(2,3)8-11-14-9-6-5-7-10-14/h4-11H2,1-3H3
InChIKeyITGFPAPRIJHPRD-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate?
The IUPAC name of ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate (CID 21418128) is ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate.
What is the SMILES notation for ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate?
The canonical SMILES for ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate is CCOC(=O)C(C)(C)CCN1CCCCC1.
What is the InChIKey of ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate?
The InChIKey is ITGFPAPRIJHPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-16-12(15)13(2,3)8-11-14-9-6-5-7-10-14/h4-11H2,1-3H3.
What are the key properties of ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate?
ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate has a molecular weight of 227.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-4-piperidin-1-ylbutanoate is sourced from PubChem (CID 21418128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).