2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole

C21H24N2 — CID 5013705

IUPAC2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole
SMILESc1ccc(C2CCN(CCc3cc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2
InChIKeyPXWYOBGHDFLUNG-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.59
Rot. Bonds4

About 2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole

2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole (PubChem CID 5013705) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole
PubChem CID5013705
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole
SMILESc1ccc(C2CCN(CCc3cc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2
InChIKeyPXWYOBGHDFLUNG-UHFFFAOYSA-N
XLogP4.59
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole?
The IUPAC name of 2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole (CID 5013705) is 2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole.
What is the SMILES notation for 2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole?
The canonical SMILES for 2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole is c1ccc(C2CCN(CCc3cc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole?
The InChIKey is PXWYOBGHDFLUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-2-6-17(7-3-1)18-10-13-23(14-11-18)15-12-20-16-19-8-4-5-9-21(19)22-20/h1-9,16,18,22H,10-15H2.
What are the key properties of 2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole?
2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole has a molecular weight of 304.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indole is sourced from PubChem (CID 5013705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).