3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol

C29H33N3O — CID 44533151

IUPAC3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C3CCN(CCCNCc4ccc(-c5ccccc5)cc4)CC3)c2c1
InChIInChI=1S/C29H33N3O/c33-26-11-12-29-27(19-26)28(21-31-29)25-13-17-32(18-14-25)16-4-15-30-20-22-7-9-24(10-8-22)23-5-2-1-3-6-23/h1-3,5-12,19,21,25,30-31,33H,4,13-18,20H2
InChIKeyYJRJBHIZAKXOML-UHFFFAOYSA-N
MW439.60 g/mol
LogP5.90
Rot. Bonds8

About 3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol

3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol (PubChem CID 44533151) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is 3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol
PubChem CID44533151
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC Name3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(C3CCN(CCCNCc4ccc(-c5ccccc5)cc4)CC3)c2c1
InChIInChI=1S/C29H33N3O/c33-26-11-12-29-27(19-26)28(21-31-29)25-13-17-32(18-14-25)16-4-15-30-20-22-7-9-24(10-8-22)23-5-2-1-3-6-23/h1-3,5-12,19,21,25,30-31,33H,4,13-18,20H2
InChIKeyYJRJBHIZAKXOML-UHFFFAOYSA-N
XLogP5.90
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol?
The IUPAC name of 3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol (CID 44533151) is 3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol.
What is the SMILES notation for 3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol?
The canonical SMILES for 3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol is Oc1ccc2[nH]cc(C3CCN(CCCNCc4ccc(-c5ccccc5)cc4)CC3)c2c1.
What is the InChIKey of 3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol?
The InChIKey is YJRJBHIZAKXOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c33-26-11-12-29-27(19-26)28(21-31-29)25-13-17-32(18-14-25)16-4-15-30-20-22-7-9-24(10-8-22)23-5-2-1-3-6-23/h1-3,5-12,19,21,25,30-31,33H,4,13-18,20H2.
What are the key properties of 3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol?
3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol has a molecular weight of 439.60 g/mol, XLogP of 5.90, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[(4-phenylphenyl)methylamino]propyl]piperidin-4-yl]-1H-indol-5-ol is sourced from PubChem (CID 44533151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).