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

C26H33N3O — CID 90681210

IUPAC1-benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol
SMILESOc1ccc2c(ccn2Cc2ccccc2)c1CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C26H33N3O/c30-26-10-9-25-23(13-18-29(25)19-21-7-3-1-4-8-21)24(26)20-27-16-11-22(12-17-27)28-14-5-2-6-15-28/h1,3-4,7-10,13,18,22,30H,2,5-6,11-12,14-17,19-20H2
InChIKeyPFYGUFOOIIURAZ-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.85
Rot. Bonds5

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

1-benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol (PubChem CID 90681210) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol.

Molecular Properties

Compound Name1-benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol
PubChem CID90681210
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name1-benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol
SMILESOc1ccc2c(ccn2Cc2ccccc2)c1CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C26H33N3O/c30-26-10-9-25-23(13-18-29(25)19-21-7-3-1-4-8-21)24(26)20-27-16-11-22(12-17-27)28-14-5-2-6-15-28/h1,3-4,7-10,13,18,22,30H,2,5-6,11-12,14-17,19-20H2
InChIKeyPFYGUFOOIIURAZ-UHFFFAOYSA-N
XLogP4.85
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.85
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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Related Compounds

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CID 42723
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CID 44404886
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CID 44396396
CID 58303886
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CID 15176149
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CID 2398303
CID 2398303
CID 44404904
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CID 5328670
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CID 44396416
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CID 46180160
CID 46180160

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol?
The IUPAC name of 1-benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol (CID 90681210) is 1-benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol.
What is the SMILES notation for 1-benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol?
The canonical SMILES for 1-benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol is Oc1ccc2c(ccn2Cc2ccccc2)c1CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol?
The InChIKey is PFYGUFOOIIURAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O/c30-26-10-9-25-23(13-18-29(25)19-21-7-3-1-4-8-21)24(26)20-27-16-11-22(12-17-27)28-14-5-2-6-15-28/h1,3-4,7-10,13,18,22,30H,2,5-6,11-12,14-17,19-20H2.
What are the key properties of 1-benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol?
1-benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol has a molecular weight of 403.57 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indol-5-ol is sourced from PubChem (CID 90681210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).