5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole

C17H24FN3 — CID 170864165

IUPAC5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCN1CCN(CCCc2cc3cc(F)ccc3n2C)CC1
InChIInChI=1S/C17H24FN3/c1-19-8-10-21(11-9-19)7-3-4-16-13-14-12-15(18)5-6-17(14)20(16)2/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyBLIHBMXKSYSYDH-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.50
Rot. Bonds4

About 5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole

5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole (PubChem CID 170864165) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole.

Molecular Properties

Compound Name5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole
PubChem CID170864165
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCN1CCN(CCCc2cc3cc(F)ccc3n2C)CC1
InChIInChI=1S/C17H24FN3/c1-19-8-10-21(11-9-19)7-3-4-16-13-14-12-15(18)5-6-17(14)20(16)2/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyBLIHBMXKSYSYDH-UHFFFAOYSA-N
XLogP2.50
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-1-methylindol-2-yl)ethanamine
CID 55253436
5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole
CID 117176614
5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole
CID 117176642
5-fluoro-2-(methoxymethyl)-1-methylindole
CID 117176892
O-[(5-fluoro-1-methylindol-2-yl)methyl]hydroxylamine
CID 117195230
[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
CID 117176518
1-[3-(3-fluoro-5-iodophenyl)propyl]-4-methylpiperazine
CID 170863311
6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117180623
4-fluoro-2-[(4-methylpiperazin-1-yl)methyl]benzenethiol
CID 91656917
1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine
CID 170862462
3-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]-1,3-benzoxazol-2-one
CID 14751607
1-ethyl-5-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170863995

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole?
The IUPAC name of 5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole (CID 170864165) is 5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole.
What is the SMILES notation for 5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole?
The canonical SMILES for 5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole is CN1CCN(CCCc2cc3cc(F)ccc3n2C)CC1.
What is the InChIKey of 5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole?
The InChIKey is BLIHBMXKSYSYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-19-8-10-21(11-9-19)7-3-4-16-13-14-12-15(18)5-6-17(14)20(16)2/h5-6,12-13H,3-4,7-11H2,1-2H3.
What are the key properties of 5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole?
5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole has a molecular weight of 289.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole is sourced from PubChem (CID 170864165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).