3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole

C23H28N2 — CID 10451707

IUPAC3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole
SMILESc1ccc(C2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H28N2/c1-2-8-19(9-3-1)20-13-16-25(17-14-20)15-7-6-10-21-18-24-23-12-5-4-11-22(21)23/h1-5,8-9,11-12,18,20,24H,6-7,10,13-17H2
InChIKeyJHLJHQQFPBTTJE-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.37
Rot. Bonds6

About 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole

3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole (PubChem CID 10451707) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole.

Molecular Properties

Compound Name3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole
PubChem CID10451707
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole
SMILESc1ccc(C2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H28N2/c1-2-8-19(9-3-1)20-13-16-25(17-14-20)15-7-6-10-21-18-24-23-12-5-4-11-22(21)23/h1-5,8-9,11-12,18,20,24H,6-7,10,13-17H2
InChIKeyJHLJHQQFPBTTJE-UHFFFAOYSA-N
XLogP5.37
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole?
The IUPAC name of 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole (CID 10451707) is 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole.
What is the SMILES notation for 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole?
The canonical SMILES for 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole is c1ccc(C2CCN(CCCCc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole?
The InChIKey is JHLJHQQFPBTTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-2-8-19(9-3-1)20-13-16-25(17-14-20)15-7-6-10-21-18-24-23-12-5-4-11-22(21)23/h1-5,8-9,11-12,18,20,24H,6-7,10,13-17H2.
What are the key properties of 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole?
3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole has a molecular weight of 332.49 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole is sourced from PubChem (CID 10451707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).