ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate

C13H25NO3 — CID 82770626

IUPACethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN1CCCC(C)C1C
InChIInChI=1S/C13H25NO3/c1-4-17-13(16)8-12(15)9-14-7-5-6-10(2)11(14)3/h10-12,15H,4-9H2,1-3H3
InChIKeyNRRIMCUTGGCQJA-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.42
Rot. Bonds5

About ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate

ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate (PubChem CID 82770626) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate
PubChem CID82770626
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN1CCCC(C)C1C
InChIInChI=1S/C13H25NO3/c1-4-17-13(16)8-12(15)9-14-7-5-6-10(2)11(14)3/h10-12,15H,4-9H2,1-3H3
InChIKeyNRRIMCUTGGCQJA-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate
CID 82775121
ethyl 3-hydroxy-4-(3-hydroxypiperidin-1-yl)butanoate
CID 82769218
ethyl 3-hydroxy-4-(3-methylmorpholin-4-yl)butanoate
CID 82775567
ethyl 4-(3-ethylpiperidin-1-yl)-3-hydroxybutanoate
CID 82778322
ethyl 4-(azocan-1-yl)-3-hydroxybutanoate
CID 82777815
(2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol
CID 130679423
ethyl 4-(4-carbamoylpiperidin-1-yl)-3-hydroxybutanoate
CID 82775103
ethyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-hydroxybutanoate
CID 82770373
ethyl 3-hydroxy-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butanoate
CID 82770662
methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate
CID 64566277
1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825
ethyl 3-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]butanoate
CID 114798276

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate?
The IUPAC name of ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate (CID 82770626) is ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate is CCOC(=O)CC(O)CN1CCCC(C)C1C.
What is the InChIKey of ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate?
The InChIKey is NRRIMCUTGGCQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-17-13(16)8-12(15)9-14-7-5-6-10(2)11(14)3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate?
ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate has a molecular weight of 243.35 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate is sourced from PubChem (CID 82770626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).