2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole

C25H24N2 — CID 53321464

IUPAC2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole
SMILESc1ccc(C2=Nc3ccccc3C2C2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H24N2/c1-3-9-20(10-4-1)25-24(22-13-7-8-14-23(22)26-25)19-15-17-27(18-16-19)21-11-5-2-6-12-21/h1-14,19,24H,15-18H2
InChIKeySKANGXDRVLBYBV-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.82
Rot. Bonds3

About 2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole

2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole (PubChem CID 53321464) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole.

Molecular Properties

Compound Name2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole
PubChem CID53321464
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole
SMILESc1ccc(C2=Nc3ccccc3C2C2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H24N2/c1-3-9-20(10-4-1)25-24(22-13-7-8-14-23(22)26-25)19-15-17-27(18-16-19)21-11-5-2-6-12-21/h1-14,19,24H,15-18H2
InChIKeySKANGXDRVLBYBV-UHFFFAOYSA-N
XLogP5.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole?
The IUPAC name of 2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole (CID 53321464) is 2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole.
What is the SMILES notation for 2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole?
The canonical SMILES for 2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole is c1ccc(C2=Nc3ccccc3C2C2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole?
The InChIKey is SKANGXDRVLBYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-3-9-20(10-4-1)25-24(22-13-7-8-14-23(22)26-25)19-15-17-27(18-16-19)21-11-5-2-6-12-21/h1-14,19,24H,15-18H2.
What are the key properties of 2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole?
2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole has a molecular weight of 352.48 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(1-phenylpiperidin-4-yl)-3H-indole is sourced from PubChem (CID 53321464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).