1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol

C14H19NO4 — CID 5467384

IUPAC1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol
SMILESOC1CN(OC/C=C/c2ccccc2)CC(O)C1O
InChIInChI=1S/C14H19NO4/c16-12-9-15(10-13(17)14(12)18)19-8-4-7-11-5-2-1-3-6-11/h1-7,12-14,16-18H,8-10H2/b7-4+
InChIKeyPTMZDVVIWWFPQK-QPJJXVBHSA-N
MW265.31 g/mol
LogP0.03
Rot. Bonds4

About 1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol

1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol (PubChem CID 5467384) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol
PubChem CID5467384
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol
SMILESOC1CN(OC/C=C/c2ccccc2)CC(O)C1O
InChIInChI=1S/C14H19NO4/c16-12-9-15(10-13(17)14(12)18)19-8-4-7-11-5-2-1-3-6-11/h1-7,12-14,16-18H,8-10H2/b7-4+
InChIKeyPTMZDVVIWWFPQK-QPJJXVBHSA-N
XLogP0.03
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol?
The IUPAC name of 1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol (CID 5467384) is 1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol is OC1CN(OC/C=C/c2ccccc2)CC(O)C1O.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol?
The InChIKey is PTMZDVVIWWFPQK-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H19NO4/c16-12-9-15(10-13(17)14(12)18)19-8-4-7-11-5-2-1-3-6-11/h1-7,12-14,16-18H,8-10H2/b7-4+.
What are the key properties of 1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol?
1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol has a molecular weight of 265.31 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enoxy]piperidine-3,4,5-triol is sourced from PubChem (CID 5467384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).