1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole

C20H21F2N3 — CID 23377416

IUPAC1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole
SMILESFc1ccc(CCN2CCC(n3ccc4ccccc43)CC2)c(F)n1
InChIInChI=1S/C20H21F2N3/c21-19-6-5-16(20(22)23-19)7-11-24-12-9-17(10-13-24)25-14-8-15-3-1-2-4-18(15)25/h1-6,8,14,17H,7,9-13H2
InChIKeyGLZBSAIZQQQUER-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.19
Rot. Bonds4

About 1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole

1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole (PubChem CID 23377416) has the molecular formula C20H21F2N3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole.

Molecular Properties

Compound Name1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole
PubChem CID23377416
Molecular FormulaC20H21F2N3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole
SMILESFc1ccc(CCN2CCC(n3ccc4ccccc43)CC2)c(F)n1
InChIInChI=1S/C20H21F2N3/c21-19-6-5-16(20(22)23-19)7-11-24-12-9-17(10-13-24)25-14-8-15-3-1-2-4-18(15)25/h1-6,8,14,17H,7,9-13H2
InChIKeyGLZBSAIZQQQUER-UHFFFAOYSA-N
XLogP4.19
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole?
The IUPAC name of 1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole (CID 23377416) is 1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole.
What is the SMILES notation for 1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole?
The canonical SMILES for 1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole is Fc1ccc(CCN2CCC(n3ccc4ccccc43)CC2)c(F)n1.
What is the InChIKey of 1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole?
The InChIKey is GLZBSAIZQQQUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3/c21-19-6-5-16(20(22)23-19)7-11-24-12-9-17(10-13-24)25-14-8-15-3-1-2-4-18(15)25/h1-6,8,14,17H,7,9-13H2.
What are the key properties of 1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole?
1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole has a molecular weight of 341.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,6-difluoro-3-pyridinyl)ethyl]piperidin-4-yl]indole is sourced from PubChem (CID 23377416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).