ethyl 3-(1-propylpiperidin-4-yl)propanoate

C13H25NO2 — CID 125041797

IUPACethyl 3-(1-propylpiperidin-4-yl)propanoate
SMILESCCCN1CCC(CCC(=O)OCC)CC1
InChIInChI=1S/C13H25NO2/c1-3-9-14-10-7-12(8-11-14)5-6-13(15)16-4-2/h12H,3-11H2,1-2H3
InChIKeyIXUMUJTZEMCNAV-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds6

About ethyl 3-(1-propylpiperidin-4-yl)propanoate

ethyl 3-(1-propylpiperidin-4-yl)propanoate (PubChem CID 125041797) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 3-(1-propylpiperidin-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-propylpiperidin-4-yl)propanoate
PubChem CID125041797
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 3-(1-propylpiperidin-4-yl)propanoate
SMILESCCCN1CCC(CCC(=O)OCC)CC1
InChIInChI=1S/C13H25NO2/c1-3-9-14-10-7-12(8-11-14)5-6-13(15)16-4-2/h12H,3-11H2,1-2H3
InChIKeyIXUMUJTZEMCNAV-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
CID 43365504
ethyl 2-(4-propylpiperidin-1-yl)acetate
CID 54019773
3-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]propanoic acid
CID 15818985
ethyl 3-[(3R)-1-methylpiperidin-3-yl]propanoate
CID 59958651
N-cyclopropyl-3-(1-propylpiperidin-4-yl)propanamide
CID 42156904
ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate
CID 60681705
ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate
CID 103484490
ethyl 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxopentanoate
CID 103484577
ethyl 4-(4-hydroxypiperidin-1-yl)butanoate
CID 66524329
ethyl 4-(4-chloropiperidin-1-yl)butanoate
CID 71533979
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
ethyl 2-(3-propylpyrrolidin-1-yl)acetate
CID 115667565

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-propylpiperidin-4-yl)propanoate?
The IUPAC name of ethyl 3-(1-propylpiperidin-4-yl)propanoate (CID 125041797) is ethyl 3-(1-propylpiperidin-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(1-propylpiperidin-4-yl)propanoate?
The canonical SMILES for ethyl 3-(1-propylpiperidin-4-yl)propanoate is CCCN1CCC(CCC(=O)OCC)CC1.
What is the InChIKey of ethyl 3-(1-propylpiperidin-4-yl)propanoate?
The InChIKey is IXUMUJTZEMCNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-9-14-10-7-12(8-11-14)5-6-13(15)16-4-2/h12H,3-11H2,1-2H3.
What are the key properties of ethyl 3-(1-propylpiperidin-4-yl)propanoate?
ethyl 3-(1-propylpiperidin-4-yl)propanoate has a molecular weight of 227.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-propylpiperidin-4-yl)propanoate is sourced from PubChem (CID 125041797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).