methyl 4-[(3R)-3-hydroxypiperidin-1-yl]butanoate

C10H19NO3 — CID 58280229

IUPACmethyl 4-[(3R)-3-hydroxypiperidin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCC[C@@H](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/t9-/m1/s1
InChIKeyHJHAGQSFTYBDOC-SECBINFHSA-N
MW201.27 g/mol
LogP0.40
Rot. Bonds4

About methyl 4-[(3R)-3-hydroxypiperidin-1-yl]butanoate

methyl 4-[(3R)-3-hydroxypiperidin-1-yl]butanoate (PubChem CID 58280229) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 4-[(3R)-3-hydroxypiperidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(3R)-3-hydroxypiperidin-1-yl]butanoate
PubChem CID58280229
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 4-[(3R)-3-hydroxypiperidin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCC[C@@H](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/t9-/m1/s1
InChIKeyHJHAGQSFTYBDOC-SECBINFHSA-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-[(3R)-3-hydroxypiperidin-1-yl]butanoate?
The IUPAC name of methyl 4-[(3R)-3-hydroxypiperidin-1-yl]butanoate (CID 58280229) is methyl 4-[(3R)-3-hydroxypiperidin-1-yl]butanoate.
What is the SMILES notation for methyl 4-[(3R)-3-hydroxypiperidin-1-yl]butanoate?
The canonical SMILES for methyl 4-[(3R)-3-hydroxypiperidin-1-yl]butanoate is COC(=O)CCCN1CCC[C@@H](O)C1.
What is the InChIKey of methyl 4-[(3R)-3-hydroxypiperidin-1-yl]butanoate?
The InChIKey is HJHAGQSFTYBDOC-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of methyl 4-[(3R)-3-hydroxypiperidin-1-yl]butanoate?
methyl 4-[(3R)-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-[(3R)-3-hydroxypiperidin-1-yl]butanoate is sourced from PubChem (CID 58280229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).