2-piperidin-4-yl-2H-indole

C13H16N2 — CID 69374500

IUPAC2-piperidin-4-yl-2H-indole
SMILESC1=c2ccccc2=NC1C1CCNCC1
InChIInChI=1S/C13H16N2/c1-2-4-12-11(3-1)9-13(15-12)10-5-7-14-8-6-10/h1-4,9-10,13-14H,5-8H2
InChIKeyXIVMTYGUFWZQTP-UHFFFAOYSA-N
MW200.29 g/mol
LogP0.47
Rot. Bonds1

About 2-piperidin-4-yl-2H-indole

2-piperidin-4-yl-2H-indole (PubChem CID 69374500) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-piperidin-4-yl-2H-indole.

Molecular Properties

Compound Name2-piperidin-4-yl-2H-indole
PubChem CID69374500
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name2-piperidin-4-yl-2H-indole
SMILESC1=c2ccccc2=NC1C1CCNCC1
InChIInChI=1S/C13H16N2/c1-2-4-12-11(3-1)9-13(15-12)10-5-7-14-8-6-10/h1-4,9-10,13-14H,5-8H2
InChIKeyXIVMTYGUFWZQTP-UHFFFAOYSA-N
XLogP0.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-2H-indole?
The IUPAC name of 2-piperidin-4-yl-2H-indole (CID 69374500) is 2-piperidin-4-yl-2H-indole.
What is the SMILES notation for 2-piperidin-4-yl-2H-indole?
The canonical SMILES for 2-piperidin-4-yl-2H-indole is C1=c2ccccc2=NC1C1CCNCC1.
What is the InChIKey of 2-piperidin-4-yl-2H-indole?
The InChIKey is XIVMTYGUFWZQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-4-12-11(3-1)9-13(15-12)10-5-7-14-8-6-10/h1-4,9-10,13-14H,5-8H2.
What are the key properties of 2-piperidin-4-yl-2H-indole?
2-piperidin-4-yl-2H-indole has a molecular weight of 200.29 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-2H-indole is sourced from PubChem (CID 69374500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).