(4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol

C8H15NO3 — CID 137484022

IUPAC(4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol
SMILESO/C=C/C1C[C@@H](O)C[C@@H](CO)N1
InChIInChI=1S/C8H15NO3/c10-2-1-6-3-8(12)4-7(5-11)9-6/h1-2,6-12H,3-5H2/b2-1+/t6?,7-,8+/m0/s1
InChIKeyZMZXFQWPOPLDBZ-GSUUOFKGSA-N
MW173.21 g/mol
LogP-0.47
Rot. Bonds2

About (4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol

(4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol (PubChem CID 137484022) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name(4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol
PubChem CID137484022
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol
SMILESO/C=C/C1C[C@@H](O)C[C@@H](CO)N1
InChIInChI=1S/C8H15NO3/c10-2-1-6-3-8(12)4-7(5-11)9-6/h1-2,6-12H,3-5H2/b2-1+/t6?,7-,8+/m0/s1
InChIKeyZMZXFQWPOPLDBZ-GSUUOFKGSA-N
XLogP-0.47
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of (4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol (CID 137484022) is (4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for (4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for (4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol is O/C=C/C1C[C@@H](O)C[C@@H](CO)N1.
What is the InChIKey of (4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol?
The InChIKey is ZMZXFQWPOPLDBZ-GSUUOFKGSA-N. The full InChI is InChI=1S/C8H15NO3/c10-2-1-6-3-8(12)4-7(5-11)9-6/h1-2,6-12H,3-5H2/b2-1+/t6?,7-,8+/m0/s1.
What are the key properties of (4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol?
(4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol has a molecular weight of 173.21 g/mol, XLogP of -0.47, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 137484022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).