5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole

C18H21FN4 — CID 71229214

IUPAC5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESFc1ccc2c(c1)CC(CN1CCN(c3ccccn3)CC1)N2
InChIInChI=1S/C18H21FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11,16,21H,7-10,12-13H2
InChIKeyPKBXDFHIFQUAJI-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.38
Rot. Bonds3

About 5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole

5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 71229214) has the molecular formula C18H21FN4 and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID71229214
Molecular FormulaC18H21FN4
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC Name5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESFc1ccc2c(c1)CC(CN1CCN(c3ccccn3)CC1)N2
InChIInChI=1S/C18H21FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11,16,21H,7-10,12-13H2
InChIKeyPKBXDFHIFQUAJI-UHFFFAOYSA-N
XLogP2.38
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 17376667
1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
CID 133315766
1-[2-(chloromethyl)-4-fluorophenyl]-4-pyridin-2-ylpiperazine
CID 43313513
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 3230377
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride
CID 18348689
ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171069831
ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171070111
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43764057
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine
CID 171069945

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 71229214) is 5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is Fc1ccc2c(c1)CC(CN1CCN(c3ccccn3)CC1)N2.
What is the InChIKey of 5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is PKBXDFHIFQUAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11,16,21H,7-10,12-13H2.
What are the key properties of 5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 312.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 71229214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).