4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol

C21H23IN2O2 — CID 46912547

IUPAC4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol
SMILESCOc1cccc2[nH]cc(CN3CCC(O)(c4ccc(I)cc4)CC3)c12
InChIInChI=1S/C21H23IN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3
InChIKeyLMUWKYOZOCNQDQ-UHFFFAOYSA-N
MW462.33 g/mol
LogP4.26
Rot. Bonds4

About 4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol

4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol (PubChem CID 46912547) has the molecular formula C21H23IN2O2 and a molecular weight of 462.33 g/mol. Its IUPAC name is 4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol
PubChem CID46912547
Molecular FormulaC21H23IN2O2
Molecular Weight462.33 g/mol
Exact Mass462.08
IUPAC Name4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol
SMILESCOc1cccc2[nH]cc(CN3CCC(O)(c4ccc(I)cc4)CC3)c12
InChIInChI=1S/C21H23IN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3
InChIKeyLMUWKYOZOCNQDQ-UHFFFAOYSA-N
XLogP4.26
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.33
LogP ≤ 54.26
H-Bond Donors ≤ 52
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-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol (CID 46912547) is 4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol is COc1cccc2[nH]cc(CN3CCC(O)(c4ccc(I)cc4)CC3)c12.
What is the InChIKey of 4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol?
The InChIKey is LMUWKYOZOCNQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23IN2O2/c1-26-19-4-2-3-18-20(19)15(13-23-18)14-24-11-9-21(25,10-12-24)16-5-7-17(22)8-6-16/h2-8,13,23,25H,9-12,14H2,1H3.
What are the key properties of 4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol?
4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol has a molecular weight of 462.33 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-1-[(4-methoxy-1H-indol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 46912547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).