7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole

C14H18FN3 — CID 84632846

IUPAC7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
SMILESCN1CCNC(Cc2c[nH]c3c(F)cccc23)C1
InChIInChI=1S/C14H18FN3/c1-18-6-5-16-11(9-18)7-10-8-17-14-12(10)3-2-4-13(14)15/h2-4,8,11,16-17H,5-7,9H2,1H3
InChIKeyIMHRPHAHMUFFTP-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.75
Rot. Bonds2

About 7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole

7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole (PubChem CID 84632846) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
PubChem CID84632846
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
SMILESCN1CCNC(Cc2c[nH]c3c(F)cccc23)C1
InChIInChI=1S/C14H18FN3/c1-18-6-5-16-11(9-18)7-10-8-17-14-12(10)3-2-4-13(14)15/h2-4,8,11,16-17H,5-7,9H2,1H3
InChIKeyIMHRPHAHMUFFTP-UHFFFAOYSA-N
XLogP1.75
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole?
The IUPAC name of 7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole (CID 84632846) is 7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole.
What is the SMILES notation for 7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole?
The canonical SMILES for 7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole is CN1CCNC(Cc2c[nH]c3c(F)cccc23)C1.
What is the InChIKey of 7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole?
The InChIKey is IMHRPHAHMUFFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-18-6-5-16-11(9-18)7-10-8-17-14-12(10)3-2-4-13(14)15/h2-4,8,11,16-17H,5-7,9H2,1H3.
What are the key properties of 7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole?
7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole has a molecular weight of 247.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole is sourced from PubChem (CID 84632846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).