2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

C38H38N4 — CID 67601122

IUPAC2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESC1=C(c2c(-c3ccccc3)[nH]c3ccccc23)CCNC1.c1ccc(-c2[nH]c3ccccc3c2C2CCNCC2)cc1
InChIInChI=1S/C19H20N2.C19H18N2/c2*1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-9,14,20-21H,10-13H2;1-10,20-21H,11-13H2
InChIKeyPXLYGPUAFIZMQY-UHFFFAOYSA-N
MW550.75 g/mol
LogP8.51
Rot. Bonds4

About 2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (PubChem CID 67601122) has the molecular formula C38H38N4 and a molecular weight of 550.75 g/mol. Its IUPAC name is 2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
PubChem CID67601122
Molecular FormulaC38H38N4
Molecular Weight550.75 g/mol
Exact Mass550.31
IUPAC Name2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SMILESC1=C(c2c(-c3ccccc3)[nH]c3ccccc23)CCNC1.c1ccc(-c2[nH]c3ccccc3c2C2CCNCC2)cc1
InChIInChI=1S/C19H20N2.C19H18N2/c2*1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-9,14,20-21H,10-13H2;1-10,20-21H,11-13H2
InChIKeyPXLYGPUAFIZMQY-UHFFFAOYSA-N
XLogP8.51
TPSA55.64 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.75
LogP ≤ 58.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The IUPAC name of 2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole (CID 67601122) is 2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole.
What is the SMILES notation for 2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The canonical SMILES for 2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is C1=C(c2c(-c3ccccc3)[nH]c3ccccc23)CCNC1.c1ccc(-c2[nH]c3ccccc3c2C2CCNCC2)cc1.
What is the InChIKey of 2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
The InChIKey is PXLYGPUAFIZMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2.C19H18N2/c2*1-2-6-15(7-3-1)19-18(14-10-12-20-13-11-14)16-8-4-5-9-17(16)21-19/h1-9,14,20-21H,10-13H2;1-10,20-21H,11-13H2.
What are the key properties of 2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole?
2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole has a molecular weight of 550.75 g/mol, XLogP of 8.51, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-piperidin-4-yl-1H-indole;2-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole is sourced from PubChem (CID 67601122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).