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

C26H26N2 — CID 18354719

IUPAC3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole
SMILESc1ccc(CN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C26H26N2/c1-3-9-20(10-4-1)19-28-17-15-21(16-18-28)25-23-13-7-8-14-24(23)27-26(25)22-11-5-2-6-12-22/h1-14,21,27H,15-19H2
InChIKeyDGLKVJXUWHYMSL-UHFFFAOYSA-N
MW366.51 g/mol
LogP6.21
Rot. Bonds4

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

3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole (PubChem CID 18354719) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole
PubChem CID18354719
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC Name3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole
SMILESc1ccc(CN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C26H26N2/c1-3-9-20(10-4-1)19-28-17-15-21(16-18-28)25-23-13-7-8-14-24(23)27-26(25)22-11-5-2-6-12-22/h1-14,21,27H,15-19H2
InChIKeyDGLKVJXUWHYMSL-UHFFFAOYSA-N
XLogP6.21
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Carbazole
CID 6854
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
Beta-Carboline
CID 64961
(+-)-alpha-Methyltryptamine
CID 9287
7H-Dibenzo(c,g)carbazole
CID 9134
Methyltryptamine
CID 6088
Tetrahydro-beta-carboline
CID 107838
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole (CID 18354719) is 3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole is c1ccc(CN2CCC(c3c(-c4ccccc4)[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole?
The InChIKey is DGLKVJXUWHYMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2/c1-3-9-20(10-4-1)19-28-17-15-21(16-18-28)25-23-13-7-8-14-24(23)27-26(25)22-11-5-2-6-12-22/h1-14,21,27H,15-19H2.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole?
3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole has a molecular weight of 366.51 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-2-phenyl-1H-indole is sourced from PubChem (CID 18354719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).