1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol

C26H33N3O — CID 90681209

IUPAC1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol
SMILESCn1c(-c2ccccc2)cc2c(CN3CCC(N4CCCCC4)CC3)c(O)ccc21
InChIInChI=1S/C26H33N3O/c1-27-24-10-11-26(30)23(22(24)18-25(27)20-8-4-2-5-9-20)19-28-16-12-21(13-17-28)29-14-6-3-7-15-29/h2,4-5,8-11,18,21,30H,3,6-7,12-17,19H2,1H3
InChIKeyOTKZPPHCTVLICZ-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.00
Rot. Bonds4

About 1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol

1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol (PubChem CID 90681209) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol.

Molecular Properties

Compound Name1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol
PubChem CID90681209
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol
SMILESCn1c(-c2ccccc2)cc2c(CN3CCC(N4CCCCC4)CC3)c(O)ccc21
InChIInChI=1S/C26H33N3O/c1-27-24-10-11-26(30)23(22(24)18-25(27)20-8-4-2-5-9-20)19-28-16-12-21(13-17-28)29-14-6-3-7-15-29/h2,4-5,8-11,18,21,30H,3,6-7,12-17,19H2,1H3
InChIKeyOTKZPPHCTVLICZ-UHFFFAOYSA-N
XLogP5.00
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol?
The IUPAC name of 1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol (CID 90681209) is 1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol.
What is the SMILES notation for 1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol?
The canonical SMILES for 1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol is Cn1c(-c2ccccc2)cc2c(CN3CCC(N4CCCCC4)CC3)c(O)ccc21.
What is the InChIKey of 1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol?
The InChIKey is OTKZPPHCTVLICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c1-27-24-10-11-26(30)23(22(24)18-25(27)20-8-4-2-5-9-20)19-28-16-12-21(13-17-28)29-14-6-3-7-15-29/h2,4-5,8-11,18,21,30H,3,6-7,12-17,19H2,1H3.
What are the key properties of 1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol?
1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol has a molecular weight of 403.57 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol is sourced from PubChem (CID 90681209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).