(4-hydroxypiperidin-4-yl) butanoate

C9H17NO3 — CID 174641441

IUPAC(4-hydroxypiperidin-4-yl) butanoate
SMILESCCCC(=O)OC1(O)CCNCC1
InChIInChI=1S/C9H17NO3/c1-2-3-8(11)13-9(12)4-6-10-7-5-9/h10,12H,2-7H2,1H3
InChIKeyBXSLAXMNQUYVCC-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.40
Rot. Bonds3

About (4-hydroxypiperidin-4-yl) butanoate

(4-hydroxypiperidin-4-yl) butanoate (PubChem CID 174641441) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (4-hydroxypiperidin-4-yl) butanoate.

Molecular Properties

Compound Name(4-hydroxypiperidin-4-yl) butanoate
PubChem CID174641441
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(4-hydroxypiperidin-4-yl) butanoate
SMILESCCCC(=O)OC1(O)CCNCC1
InChIInChI=1S/C9H17NO3/c1-2-3-8(11)13-9(12)4-6-10-7-5-9/h10,12H,2-7H2,1H3
InChIKeyBXSLAXMNQUYVCC-UHFFFAOYSA-N
XLogP0.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-4-yl) butanoate?
The IUPAC name of (4-hydroxypiperidin-4-yl) butanoate (CID 174641441) is (4-hydroxypiperidin-4-yl) butanoate.
What is the SMILES notation for (4-hydroxypiperidin-4-yl) butanoate?
The canonical SMILES for (4-hydroxypiperidin-4-yl) butanoate is CCCC(=O)OC1(O)CCNCC1.
What is the InChIKey of (4-hydroxypiperidin-4-yl) butanoate?
The InChIKey is BXSLAXMNQUYVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-3-8(11)13-9(12)4-6-10-7-5-9/h10,12H,2-7H2,1H3.
What are the key properties of (4-hydroxypiperidin-4-yl) butanoate?
(4-hydroxypiperidin-4-yl) butanoate has a molecular weight of 187.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-4-yl) butanoate is sourced from PubChem (CID 174641441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).