3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole

C22H26N2 — CID 3054786

IUPAC3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
SMILESCC1CCCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H26N2/c1-17-9-7-8-15-24(17)16-14-20-19-12-5-6-13-21(19)23-22(20)18-10-3-2-4-11-18/h2-6,10-13,17,23H,7-9,14-16H2,1H3
InChIKeyPYPVMGCWFRRKNC-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.25
Rot. Bonds4

About 3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole

3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole (PubChem CID 3054786) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
PubChem CID3054786
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole
SMILESCC1CCCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H26N2/c1-17-9-7-8-15-24(17)16-14-20-19-12-5-6-13-21(19)23-22(20)18-10-3-2-4-11-18/h2-6,10-13,17,23H,7-9,14-16H2,1H3
InChIKeyPYPVMGCWFRRKNC-UHFFFAOYSA-N
XLogP5.25
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole?
The IUPAC name of 3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole (CID 3054786) is 3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole.
What is the SMILES notation for 3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole?
The canonical SMILES for 3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole is CC1CCCCN1CCc1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole?
The InChIKey is PYPVMGCWFRRKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-17-9-7-8-15-24(17)16-14-20-19-12-5-6-13-21(19)23-22(20)18-10-3-2-4-11-18/h2-6,10-13,17,23H,7-9,14-16H2,1H3.
What are the key properties of 3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole?
3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole has a molecular weight of 318.46 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenyl-1H-indole is sourced from PubChem (CID 3054786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).