[3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine

C15H24FN3 — CID 114537265

IUPAC[3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCC1CN(Cc2ccc(CN)cc2F)CC(C)N1C
InChIInChI=1S/C15H24FN3/c1-11-8-19(9-12(2)18(11)3)10-14-5-4-13(7-17)6-15(14)16/h4-6,11-12H,7-10,17H2,1-3H3
InChIKeyGRRJVYJSZGWIMN-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.81
Rot. Bonds3

About [3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine

[3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine (PubChem CID 114537265) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is [3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
PubChem CID114537265
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name[3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
SMILESCC1CN(Cc2ccc(CN)cc2F)CC(C)N1C
InChIInChI=1S/C15H24FN3/c1-11-8-19(9-12(2)18(11)3)10-14-5-4-13(7-17)6-15(14)16/h4-6,11-12H,7-10,17H2,1-3H3
InChIKeyGRRJVYJSZGWIMN-UHFFFAOYSA-N
XLogP1.81
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-[(3-propylazetidin-1-yl)methyl]phenyl]methanamine
CID 79687646
[3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine
CID 79175481
[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-fluorophenyl]methanamine
CID 63604704
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166063
1-[4-fluoro-3-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 107455791
methyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383148
4-fluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenol
CID 104872388
ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383296
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenyl]methanamine
CID 63611034
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpiperazine-2,5-dione
CID 79936119
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]azepane-2,7-dione
CID 43447534
2-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]aniline
CID 114547032

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine (CID 114537265) is [3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine is CC1CN(Cc2ccc(CN)cc2F)CC(C)N1C.
What is the InChIKey of [3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine?
The InChIKey is GRRJVYJSZGWIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-11-8-19(9-12(2)18(11)3)10-14-5-4-13(7-17)6-15(14)16/h4-6,11-12H,7-10,17H2,1-3H3.
What are the key properties of [3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine?
[3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine has a molecular weight of 265.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 114537265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).