methyl 4-(3-hydroxypiperidin-1-yl)butanoate

C10H19NO3 — CID 60581818

IUPACmethyl 4-(3-hydroxypiperidin-1-yl)butanoate
SMILESCOC(=O)CCCN1CCCC(O)C1
InChIInChI=1S/C10H19NO3/c1-14-10(13)5-3-7-11-6-2-4-9(12)8-11/h9,12H,2-8H2,1H3
InChIKeyHJHAGQSFTYBDOC-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.40
Rot. Bonds4

About methyl 4-(3-hydroxypiperidin-1-yl)butanoate

methyl 4-(3-hydroxypiperidin-1-yl)butanoate (PubChem CID 60581818) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 4-(3-hydroxypiperidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(3-hydroxypiperidin-1-yl)butanoate
PubChem CID60581818
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 4-(3-hydroxypiperidin-1-yl)butanoate
SMILESCOC(=O)CCCN1CCCC(O)C1
InChIInChI=1S/C10H19NO3/c1-14-10(13)5-3-7-11-6-2-4-9(12)8-11/h9,12H,2-8H2,1H3
InChIKeyHJHAGQSFTYBDOC-UHFFFAOYSA-N
XLogP0.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-hydroxypiperidin-1-yl)butanoate?
The IUPAC name of methyl 4-(3-hydroxypiperidin-1-yl)butanoate (CID 60581818) is methyl 4-(3-hydroxypiperidin-1-yl)butanoate.
What is the SMILES notation for methyl 4-(3-hydroxypiperidin-1-yl)butanoate?
The canonical SMILES for methyl 4-(3-hydroxypiperidin-1-yl)butanoate is COC(=O)CCCN1CCCC(O)C1.
What is the InChIKey of methyl 4-(3-hydroxypiperidin-1-yl)butanoate?
The InChIKey is HJHAGQSFTYBDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-10(13)5-3-7-11-6-2-4-9(12)8-11/h9,12H,2-8H2,1H3.
What are the key properties of methyl 4-(3-hydroxypiperidin-1-yl)butanoate?
methyl 4-(3-hydroxypiperidin-1-yl)butanoate has a molecular weight of 201.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-hydroxypiperidin-1-yl)butanoate is sourced from PubChem (CID 60581818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).