5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole

C22H23ClN2 — CID 70484161

IUPAC5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole
SMILESClc1ccc2[nH]ccc2c1CCCC1CC(c2ccccc2)=CCN1
InChIInChI=1S/C22H23ClN2/c23-21-9-10-22-20(12-14-25-22)19(21)8-4-7-18-15-17(11-13-24-18)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18,24-25H,4,7-8,13,15H2
InChIKeyKVJFGCXEYAAJNI-UHFFFAOYSA-N
MW350.89 g/mol
LogP5.59
Rot. Bonds5

About 5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole

5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole (PubChem CID 70484161) has the molecular formula C22H23ClN2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole.

Molecular Properties

Compound Name5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole
PubChem CID70484161
Molecular FormulaC22H23ClN2
Molecular Weight350.89 g/mol
Exact Mass350.15
IUPAC Name5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole
SMILESClc1ccc2[nH]ccc2c1CCCC1CC(c2ccccc2)=CCN1
InChIInChI=1S/C22H23ClN2/c23-21-9-10-22-20(12-14-25-22)19(21)8-4-7-18-15-17(11-13-24-18)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18,24-25H,4,7-8,13,15H2
InChIKeyKVJFGCXEYAAJNI-UHFFFAOYSA-N
XLogP5.59
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.89
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole?
The IUPAC name of 5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole (CID 70484161) is 5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole.
What is the SMILES notation for 5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole?
The canonical SMILES for 5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole is Clc1ccc2[nH]ccc2c1CCCC1CC(c2ccccc2)=CCN1.
What is the InChIKey of 5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole?
The InChIKey is KVJFGCXEYAAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2/c23-21-9-10-22-20(12-14-25-22)19(21)8-4-7-18-15-17(11-13-24-18)16-5-2-1-3-6-16/h1-3,5-6,9-12,14,18,24-25H,4,7-8,13,15H2.
What are the key properties of 5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole?
5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole has a molecular weight of 350.89 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)propyl]-1H-indole is sourced from PubChem (CID 70484161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).