4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol

C9H16INO2 — CID 18674799

IUPAC4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol
SMILESCC1NCCC(C(O)/C=C/I)C1O
InChIInChI=1S/C9H16INO2/c1-6-9(13)7(3-5-11-6)8(12)2-4-10/h2,4,6-9,11-13H,3,5H2,1H3/b4-2+
InChIKeyRBUDMHKVVNCKBK-DUXPYHPUSA-N
MW297.14 g/mol
LogP0.65
Rot. Bonds2

About 4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol

4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol (PubChem CID 18674799) has the molecular formula C9H16INO2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol.

Molecular Properties

Compound Name4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol
PubChem CID18674799
Molecular FormulaC9H16INO2
Molecular Weight297.14 g/mol
Exact Mass297.02
IUPAC Name4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol
SMILESCC1NCCC(C(O)/C=C/I)C1O
InChIInChI=1S/C9H16INO2/c1-6-9(13)7(3-5-11-6)8(12)2-4-10/h2,4,6-9,11-13H,3,5H2,1H3/b4-2+
InChIKeyRBUDMHKVVNCKBK-DUXPYHPUSA-N
XLogP0.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol?
The IUPAC name of 4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol (CID 18674799) is 4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol.
What is the SMILES notation for 4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol?
The canonical SMILES for 4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol is CC1NCCC(C(O)/C=C/I)C1O.
What is the InChIKey of 4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol?
The InChIKey is RBUDMHKVVNCKBK-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H16INO2/c1-6-9(13)7(3-5-11-6)8(12)2-4-10/h2,4,6-9,11-13H,3,5H2,1H3/b4-2+.
What are the key properties of 4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol?
4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol has a molecular weight of 297.14 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-hydroxy-3-iodoprop-2-enyl]-2-methylpiperidin-3-ol is sourced from PubChem (CID 18674799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).