methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate

C13H25NO3 — CID 62394199

IUPACmethyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate
SMILESCCCN1CCC(O)(C(CC)C(=O)OC)CC1
InChIInChI=1S/C13H25NO3/c1-4-8-14-9-6-13(16,7-10-14)11(5-2)12(15)17-3/h11,16H,4-10H2,1-3H3
InChIKeyXISNEBRGUCPICF-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.42
Rot. Bonds5

About methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate

methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate (PubChem CID 62394199) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate
PubChem CID62394199
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate
SMILESCCCN1CCC(O)(C(CC)C(=O)OC)CC1
InChIInChI=1S/C13H25NO3/c1-4-8-14-9-6-13(16,7-10-14)11(5-2)12(15)17-3/h11,16H,4-10H2,1-3H3
InChIKeyXISNEBRGUCPICF-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

methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
methyl 2-(4-hydroxypiperidin-4-yl)butanoate
CID 62395277
methyl 4-(methylamino)-1-propylpiperidine-4-carboxylate
CID 60787071
methyl 2-(1-ethyl-4-hydroxypiperidin-4-yl)propanoate
CID 62393991
2-(4-hydroxy-1-propylazepan-4-yl)-3-methylbutanoic acid
CID 65076967
ethyl 2-fluoro-2-(4-hydroxy-1-propylazepan-4-yl)acetate
CID 79366738
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
CID 55145293
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
ethyl 4-(butan-2-ylamino)-1-propylazepane-4-carboxylate
CID 65076013
ethyl 2-(1-ethyl-4-hydroxyazepan-4-yl)pentanoate
CID 83042795
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247
4-(propan-2-ylamino)-1-propylpiperidine-4-carboxylic acid
CID 43754204

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate?
The IUPAC name of methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate (CID 62394199) is methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate.
What is the SMILES notation for methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate?
The canonical SMILES for methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate is CCCN1CCC(O)(C(CC)C(=O)OC)CC1.
What is the InChIKey of methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate?
The InChIKey is XISNEBRGUCPICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-8-14-9-6-13(16,7-10-14)11(5-2)12(15)17-3/h11,16H,4-10H2,1-3H3.
What are the key properties of methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate?
methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate 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 methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate is sourced from PubChem (CID 62394199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).