methyl 2-(4-hydroxypiperidin-4-yl)butanoate

C10H19NO3 — CID 62395277

IUPACmethyl 2-(4-hydroxypiperidin-4-yl)butanoate
SMILESCCC(C(=O)OC)C1(O)CCNCC1
InChIInChI=1S/C10H19NO3/c1-3-8(9(12)14-2)10(13)4-6-11-7-5-10/h8,11,13H,3-7H2,1-2H3
InChIKeyGHDGVCBLZRVCAQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds3

About methyl 2-(4-hydroxypiperidin-4-yl)butanoate

methyl 2-(4-hydroxypiperidin-4-yl)butanoate (PubChem CID 62395277) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-(4-hydroxypiperidin-4-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxypiperidin-4-yl)butanoate
PubChem CID62395277
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-(4-hydroxypiperidin-4-yl)butanoate
SMILESCCC(C(=O)OC)C1(O)CCNCC1
InChIInChI=1S/C10H19NO3/c1-3-8(9(12)14-2)10(13)4-6-11-7-5-10/h8,11,13H,3-7H2,1-2H3
InChIKeyGHDGVCBLZRVCAQ-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate
CID 114502128
methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate
CID 62394199
methyl 2-(1-hydroxy-3-propan-2-ylcyclohexyl)butanoate
CID 107450367
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
4-ethyl-N-methoxypiperidine-4-carboxamide
CID 64974919
2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid
CID 106824095
methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate
CID 114696700
tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate
CID 69414376
methyl 4-aminopiperidine-4-carboxylate
CID 22907215
benzyl 2-(4-hydroxypiperidin-4-yl)propanoate
CID 135317783
methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate
CID 107424033
(3,4-dimethoxypyrrolidin-1-yl)-(4-ethylpiperidin-4-yl)methanone
CID 103533229

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxypiperidin-4-yl)butanoate?
The IUPAC name of methyl 2-(4-hydroxypiperidin-4-yl)butanoate (CID 62395277) is methyl 2-(4-hydroxypiperidin-4-yl)butanoate.
What is the SMILES notation for methyl 2-(4-hydroxypiperidin-4-yl)butanoate?
The canonical SMILES for methyl 2-(4-hydroxypiperidin-4-yl)butanoate is CCC(C(=O)OC)C1(O)CCNCC1.
What is the InChIKey of methyl 2-(4-hydroxypiperidin-4-yl)butanoate?
The InChIKey is GHDGVCBLZRVCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-8(9(12)14-2)10(13)4-6-11-7-5-10/h8,11,13H,3-7H2,1-2H3.
What are the key properties of methyl 2-(4-hydroxypiperidin-4-yl)butanoate?
methyl 2-(4-hydroxypiperidin-4-yl)butanoate has a molecular weight of 201.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxypiperidin-4-yl)butanoate is sourced from PubChem (CID 62395277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).