ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate

C13H25NO3 — CID 64663422

IUPACethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate
SMILESCCOC(=O)C(CC)N1CCCC(CCO)C1
InChIInChI=1S/C13H25NO3/c1-3-12(13(16)17-4-2)14-8-5-6-11(10-14)7-9-15/h11-12,15H,3-10H2,1-2H3
InChIKeyDRKZCZMBKYAVJK-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.42
Rot. Bonds6

About ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate

ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate (PubChem CID 64663422) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate
PubChem CID64663422
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate
SMILESCCOC(=O)C(CC)N1CCCC(CCO)C1
InChIInChI=1S/C13H25NO3/c1-3-12(13(16)17-4-2)14-8-5-6-11(10-14)7-9-15/h11-12,15H,3-10H2,1-2H3
InChIKeyDRKZCZMBKYAVJK-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
CID 83049640
ethyl 1-(1-ethoxy-1-oxobutan-2-yl)piperidine-3-carboxylate
CID 64663416
2-[3-(2-hydroxyethyl)piperidin-1-yl]-3-methoxypropanehydrazide
CID 107229100
2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile
CID 62357327
ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 62356988
ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate
CID 70373350
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-propylpropanamide
CID 62358014
ethyl 2-(4-methylpiperidin-1-yl)butanoate
CID 64663481
ethyl 2-(4-tert-butylazepan-1-yl)butanoate
CID 64661071
ethyl (2R)-2-[(4R)-4-pyrrolidin-1-ylazepan-1-yl]butanoate
CID 124776571
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
CID 129414278
2-(3-ethylpiperidin-1-yl)butanehydrazide
CID 63572940

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate?
The IUPAC name of ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate (CID 64663422) is ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate?
The canonical SMILES for ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate is CCOC(=O)C(CC)N1CCCC(CCO)C1.
What is the InChIKey of ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate?
The InChIKey is DRKZCZMBKYAVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-12(13(16)17-4-2)14-8-5-6-11(10-14)7-9-15/h11-12,15H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate?
ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate has a molecular weight of 243.35 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate is sourced from PubChem (CID 64663422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).