7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole

C16H22FN3 — CID 117440749

IUPAC7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole
SMILESCc1[nH]c2c(F)cc(CCN3CCNCC3)cc2c1C
InChIInChI=1S/C16H22FN3/c1-11-12(2)19-16-14(11)9-13(10-15(16)17)3-6-20-7-4-18-5-8-20/h9-10,18-19H,3-8H2,1-2H3
InChIKeyQXQFYIABGVHTOL-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.37
Rot. Bonds3

About 7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole

7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole (PubChem CID 117440749) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole.

Molecular Properties

Compound Name7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole
PubChem CID117440749
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole
SMILESCc1[nH]c2c(F)cc(CCN3CCNCC3)cc2c1C
InChIInChI=1S/C16H22FN3/c1-11-12(2)19-16-14(11)9-13(10-15(16)17)3-6-20-7-4-18-5-8-20/h9-10,18-19H,3-8H2,1-2H3
InChIKeyQXQFYIABGVHTOL-UHFFFAOYSA-N
XLogP2.37
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384405
1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine
CID 117424695
2,5,7-trimethyl-3-(2-piperazin-1-ylethyl)-1H-indole
CID 96679391
7-fluoro-2-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 95433584
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline
CID 117111789
1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine
CID 117418093
1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
CID 84798248
1-[2-(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)ethyl]piperazine
CID 117462557
1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
CID 117353486
7-fluoro-1,3-dimethyl-5-(piperazin-1-ylmethyl)indole
CID 117407896

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole?
The IUPAC name of 7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole (CID 117440749) is 7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole.
What is the SMILES notation for 7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole?
The canonical SMILES for 7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole is Cc1[nH]c2c(F)cc(CCN3CCNCC3)cc2c1C.
What is the InChIKey of 7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole?
The InChIKey is QXQFYIABGVHTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-11-12(2)19-16-14(11)9-13(10-15(16)17)3-6-20-7-4-18-5-8-20/h9-10,18-19H,3-8H2,1-2H3.
What are the key properties of 7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole?
7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole has a molecular weight of 275.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3-dimethyl-5-(2-piperazin-1-ylethyl)-1H-indole is sourced from PubChem (CID 117440749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).