1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol

C13H16ClIN3OP — CID 135274063

IUPAC1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2cc3c(cnn3PI)cc2Cl)CC1
InChIInChI=1S/C13H16ClIN3OP/c1-13(19)2-4-17(5-3-13)12-7-11-9(6-10(12)14)8-16-18(11)20-15/h6-8,19-20H,2-5H2,1H3
InChIKeyMESNWIBPXMIMHO-UHFFFAOYSA-N
MW423.62 g/mol
LogP3.83
Rot. Bonds2

About 1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol

1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol (PubChem CID 135274063) has the molecular formula C13H16ClIN3OP and a molecular weight of 423.62 g/mol. Its IUPAC name is 1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol
PubChem CID135274063
Molecular FormulaC13H16ClIN3OP
Molecular Weight423.62 g/mol
Exact Mass422.98
IUPAC Name1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2cc3c(cnn3PI)cc2Cl)CC1
InChIInChI=1S/C13H16ClIN3OP/c1-13(19)2-4-17(5-3-13)12-7-11-9(6-10(12)14)8-16-18(11)20-15/h6-8,19-20H,2-5H2,1H3
InChIKeyMESNWIBPXMIMHO-UHFFFAOYSA-N
XLogP3.83
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.62
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol (CID 135274063) is 1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol is CC1(O)CCN(c2cc3c(cnn3PI)cc2Cl)CC1.
What is the InChIKey of 1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol?
The InChIKey is MESNWIBPXMIMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN3OP/c1-13(19)2-4-17(5-3-13)12-7-11-9(6-10(12)14)8-16-18(11)20-15/h6-8,19-20H,2-5H2,1H3.
What are the key properties of 1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol?
1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol has a molecular weight of 423.62 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-iodophosphanylindazol-6-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 135274063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).