ethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate

C14H27NO2 — CID 12910325

IUPACethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate
SMILESCCOC(=O)C(C)N1CCC(CC(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-5-17-14(16)12(4)15-8-6-13(7-9-15)10-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyUKMMWXZVJQWETE-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.70
Rot. Bonds5

About ethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate

ethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate (PubChem CID 12910325) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is ethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate
PubChem CID12910325
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC Nameethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate
SMILESCCOC(=O)C(C)N1CCC(CC(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-5-17-14(16)12(4)15-8-6-13(7-9-15)10-11(2)3/h11-13H,5-10H2,1-4H3
InChIKeyUKMMWXZVJQWETE-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate?
The IUPAC name of ethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate (CID 12910325) is ethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate.
What is the SMILES notation for ethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate?
The canonical SMILES for ethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate is CCOC(=O)C(C)N1CCC(CC(C)C)CC1.
What is the InChIKey of ethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate?
The InChIKey is UKMMWXZVJQWETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-17-14(16)12(4)15-8-6-13(7-9-15)10-11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of ethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate?
ethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate has a molecular weight of 241.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-methylpropyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 12910325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).