phenyl 2-(4-hydroxypiperidin-1-yl)butanoate

C15H21NO3 — CID 90768997

IUPACphenyl 2-(4-hydroxypiperidin-1-yl)butanoate
SMILESCCC(C(=O)Oc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C15H21NO3/c1-2-14(16-10-8-12(17)9-11-16)15(18)19-13-6-4-3-5-7-13/h3-7,12,14,17H,2,8-11H2,1H3
InChIKeyBQZVVSXGQJRKGU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.83
Rot. Bonds4

About phenyl 2-(4-hydroxypiperidin-1-yl)butanoate

phenyl 2-(4-hydroxypiperidin-1-yl)butanoate (PubChem CID 90768997) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is phenyl 2-(4-hydroxypiperidin-1-yl)butanoate.

Molecular Properties

Compound Namephenyl 2-(4-hydroxypiperidin-1-yl)butanoate
PubChem CID90768997
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namephenyl 2-(4-hydroxypiperidin-1-yl)butanoate
SMILESCCC(C(=O)Oc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C15H21NO3/c1-2-14(16-10-8-12(17)9-11-16)15(18)19-13-6-4-3-5-7-13/h3-7,12,14,17H,2,8-11H2,1H3
InChIKeyBQZVVSXGQJRKGU-UHFFFAOYSA-N
XLogP1.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-(4-hydroxypiperidin-1-yl)butanoate?
The IUPAC name of phenyl 2-(4-hydroxypiperidin-1-yl)butanoate (CID 90768997) is phenyl 2-(4-hydroxypiperidin-1-yl)butanoate.
What is the SMILES notation for phenyl 2-(4-hydroxypiperidin-1-yl)butanoate?
The canonical SMILES for phenyl 2-(4-hydroxypiperidin-1-yl)butanoate is CCC(C(=O)Oc1ccccc1)N1CCC(O)CC1.
What is the InChIKey of phenyl 2-(4-hydroxypiperidin-1-yl)butanoate?
The InChIKey is BQZVVSXGQJRKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-14(16-10-8-12(17)9-11-16)15(18)19-13-6-4-3-5-7-13/h3-7,12,14,17H,2,8-11H2,1H3.
What are the key properties of phenyl 2-(4-hydroxypiperidin-1-yl)butanoate?
phenyl 2-(4-hydroxypiperidin-1-yl)butanoate has a molecular weight of 263.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(4-hydroxypiperidin-1-yl)butanoate is sourced from PubChem (CID 90768997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).