(2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol

C8H15NO3 — CID 118725593

IUPAC(2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol
SMILESC=CC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H15NO3/c1-2-3-5-7(11)8(12)6(10)4-9-5/h2,5-12H,1,3-4H2/t5-,6-,7+,8+/m1/s1
InChIKeyWHCAXHJJCMTBKC-NGJRWZKOSA-N
MW173.21 g/mol
LogP-1.38
Rot. Bonds2

About (2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol

(2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol (PubChem CID 118725593) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol
PubChem CID118725593
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol
SMILESC=CC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H15NO3/c1-2-3-5-7(11)8(12)6(10)4-9-5/h2,5-12H,1,3-4H2/t5-,6-,7+,8+/m1/s1
InChIKeyWHCAXHJJCMTBKC-NGJRWZKOSA-N
XLogP-1.38
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 ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol (CID 118725593) is (2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol is C=CC[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol?
The InChIKey is WHCAXHJJCMTBKC-NGJRWZKOSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-3-5-7(11)8(12)6(10)4-9-5/h2,5-12H,1,3-4H2/t5-,6-,7+,8+/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol?
(2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol has a molecular weight of 173.21 g/mol, XLogP of -1.38, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol is sourced from PubChem (CID 118725593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).