1-(1-pyridin-4-ylbutyl)indole

C17H18N2 — CID 10586798

IUPAC1-(1-pyridin-4-ylbutyl)indole
SMILESCCCC(c1ccncc1)n1ccc2ccccc21
InChIInChI=1S/C17H18N2/c1-2-5-16(15-8-11-18-12-9-15)19-13-10-14-6-3-4-7-17(14)19/h3-4,6-13,16H,2,5H2,1H3
InChIKeyQHMFRKMGCLKZRZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.43
Rot. Bonds4

About 1-(1-pyridin-4-ylbutyl)indole

1-(1-pyridin-4-ylbutyl)indole (PubChem CID 10586798) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(1-pyridin-4-ylbutyl)indole.

Molecular Properties

Compound Name1-(1-pyridin-4-ylbutyl)indole
PubChem CID10586798
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name1-(1-pyridin-4-ylbutyl)indole
SMILESCCCC(c1ccncc1)n1ccc2ccccc21
InChIInChI=1S/C17H18N2/c1-2-5-16(15-8-11-18-12-9-15)19-13-10-14-6-3-4-7-17(14)19/h3-4,6-13,16H,2,5H2,1H3
InChIKeyQHMFRKMGCLKZRZ-UHFFFAOYSA-N
XLogP4.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-4-ylbutyl)indole?
The IUPAC name of 1-(1-pyridin-4-ylbutyl)indole (CID 10586798) is 1-(1-pyridin-4-ylbutyl)indole.
What is the SMILES notation for 1-(1-pyridin-4-ylbutyl)indole?
The canonical SMILES for 1-(1-pyridin-4-ylbutyl)indole is CCCC(c1ccncc1)n1ccc2ccccc21.
What is the InChIKey of 1-(1-pyridin-4-ylbutyl)indole?
The InChIKey is QHMFRKMGCLKZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-2-5-16(15-8-11-18-12-9-15)19-13-10-14-6-3-4-7-17(14)19/h3-4,6-13,16H,2,5H2,1H3.
What are the key properties of 1-(1-pyridin-4-ylbutyl)indole?
1-(1-pyridin-4-ylbutyl)indole has a molecular weight of 250.35 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-4-ylbutyl)indole is sourced from PubChem (CID 10586798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).