ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate

C14H27NO3 — CID 102280633

IUPACethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C14H27NO3/c1-7-18-12(17)10(2)15-13(3,4)8-11(16)9-14(15,5)6/h10-11,16H,7-9H2,1-6H3
InChIKeyDYPJRXHJUCBFBH-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.95
Rot. Bonds3

About ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate

ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate (PubChem CID 102280633) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate
PubChem CID102280633
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C14H27NO3/c1-7-18-12(17)10(2)15-13(3,4)8-11(16)9-14(15,5)6/h10-11,16H,7-9H2,1-6H3
InChIKeyDYPJRXHJUCBFBH-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl butanedioate;1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 67825631
1-(1-aminoethyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 22165910
ethyl 2-(3,3,4-trimethylpiperazin-1-yl)propanoate
CID 63610423
ethyl 2-(3-aminoazetidin-1-yl)propanoate
CID 65249905
methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 23279644
1-butan-2-yloxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 88999908
methyl 3-hydroxy-2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 20596274
ethyl (2S)-2-deuterio-2-[(1R,2R)-2-hydroxy-3,3-dimethylcyclobutyl]propanoate
CID 10703255
ethyl 2-piperidin-1-ylpropanoate;methanamine
CID 143433031
ethyl 2-(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)propanoate
CID 66241716
CID 102188245
CID 102188245
ethyl (2S)-2-amino-2-spiro[2.3]hexan-5-ylacetate
CID 166888751

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate?
The IUPAC name of ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate (CID 102280633) is ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate is CCOC(=O)C(C)N1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate?
The InChIKey is DYPJRXHJUCBFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-7-18-12(17)10(2)15-13(3,4)8-11(16)9-14(15,5)6/h10-11,16H,7-9H2,1-6H3.
What are the key properties of ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate?
ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate has a molecular weight of 257.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)propanoate is sourced from PubChem (CID 102280633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).