2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole

C22H26N2O — CID 22507782

IUPAC2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole
SMILESc1ccc2[nH]c(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1
InChIInChI=1S/C22H26N2O/c1-4-13-24(14-5-1)15-6-16-25-20-11-9-18(10-12-20)22-17-19-7-2-3-8-21(19)23-22/h2-3,7-12,17,23H,1,4-6,13-16H2
InChIKeyCJJQNFCZLGSSMK-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.09
Rot. Bonds6

About 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole

2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole (PubChem CID 22507782) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole.

Molecular Properties

Compound Name2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole
PubChem CID22507782
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole
SMILESc1ccc2[nH]c(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1
InChIInChI=1S/C22H26N2O/c1-4-13-24(14-5-1)15-6-16-25-20-11-9-18(10-12-20)22-17-19-7-2-3-8-21(19)23-22/h2-3,7-12,17,23H,1,4-6,13-16H2
InChIKeyCJJQNFCZLGSSMK-UHFFFAOYSA-N
XLogP5.09
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole?
The IUPAC name of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole (CID 22507782) is 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole.
What is the SMILES notation for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole?
The canonical SMILES for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole is c1ccc2[nH]c(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1.
What is the InChIKey of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole?
The InChIKey is CJJQNFCZLGSSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-4-13-24(14-5-1)15-6-16-25-20-11-9-18(10-12-20)22-17-19-7-2-3-8-21(19)23-22/h2-3,7-12,17,23H,1,4-6,13-16H2.
What are the key properties of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole?
2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole has a molecular weight of 334.46 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-indole is sourced from PubChem (CID 22507782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).