1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole

C26H26N2 — CID 10248354

IUPAC1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole
SMILESc1ccc(C2CCCNC2)c(-c2ccc(Cn3ccc4ccccc43)cc2)c1
InChIInChI=1S/C26H26N2/c1-4-10-26-22(6-1)15-17-28(26)19-20-11-13-21(14-12-20)24-8-2-3-9-25(24)23-7-5-16-27-18-23/h1-4,6,8-15,17,23,27H,5,7,16,18-19H2
InChIKeyIKJNUIAUXXDYPT-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.82
Rot. Bonds4

About 1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole

1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole (PubChem CID 10248354) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole.

Molecular Properties

Compound Name1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole
PubChem CID10248354
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC Name1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole
SMILESc1ccc(C2CCCNC2)c(-c2ccc(Cn3ccc4ccccc43)cc2)c1
InChIInChI=1S/C26H26N2/c1-4-10-26-22(6-1)15-17-28(26)19-20-11-13-21(14-12-20)24-8-2-3-9-25(24)23-7-5-16-27-18-23/h1-4,6,8-15,17,23,27H,5,7,16,18-19H2
InChIKeyIKJNUIAUXXDYPT-UHFFFAOYSA-N
XLogP5.82
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole?
The IUPAC name of 1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole (CID 10248354) is 1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole.
What is the SMILES notation for 1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole?
The canonical SMILES for 1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole is c1ccc(C2CCCNC2)c(-c2ccc(Cn3ccc4ccccc43)cc2)c1.
What is the InChIKey of 1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole?
The InChIKey is IKJNUIAUXXDYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2/c1-4-10-26-22(6-1)15-17-28(26)19-20-11-13-21(14-12-20)24-8-2-3-9-25(24)23-7-5-16-27-18-23/h1-4,6,8-15,17,23,27H,5,7,16,18-19H2.
What are the key properties of 1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole?
1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole has a molecular weight of 366.51 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-piperidin-3-ylphenyl)phenyl]methyl]indole is sourced from PubChem (CID 10248354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).