1-piperidin-4-ylindole

C13H16N2 — CID 14090755

IUPAC1-piperidin-4-ylindole
SMILESc1ccc2c(c1)ccn2C1CCNCC1
InChIInChI=1S/C13H16N2/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12/h1-4,7,10,12,14H,5-6,8-9H2
InChIKeyRQEDXUKWSYJDPG-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.57
Rot. Bonds1

About 1-piperidin-4-ylindole

1-piperidin-4-ylindole (PubChem CID 14090755) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-piperidin-4-ylindole.

Molecular Properties

Compound Name1-piperidin-4-ylindole
PubChem CID14090755
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name1-piperidin-4-ylindole
SMILESc1ccc2c(c1)ccn2C1CCNCC1
InChIInChI=1S/C13H16N2/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12/h1-4,7,10,12,14H,5-6,8-9H2
InChIKeyRQEDXUKWSYJDPG-UHFFFAOYSA-N
XLogP2.57
TPSA16.96 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylindole?
The IUPAC name of 1-piperidin-4-ylindole (CID 14090755) is 1-piperidin-4-ylindole.
What is the SMILES notation for 1-piperidin-4-ylindole?
The canonical SMILES for 1-piperidin-4-ylindole is c1ccc2c(c1)ccn2C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylindole?
The InChIKey is RQEDXUKWSYJDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-4-13-11(3-1)7-10-15(13)12-5-8-14-9-6-12/h1-4,7,10,12,14H,5-6,8-9H2.
What are the key properties of 1-piperidin-4-ylindole?
1-piperidin-4-ylindole has a molecular weight of 200.29 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylindole is sourced from PubChem (CID 14090755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).