[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine

C12H18FN3 — CID 83642807

IUPAC[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCN1CCN(c2cc(CN)ccc2F)CC1
InChIInChI=1S/C12H18FN3/c1-15-4-6-16(7-5-15)12-8-10(9-14)2-3-11(12)13/h2-3,8H,4-7,9,14H2,1H3
InChIKeyJWGAIWQUFGUPHE-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.04
Rot. Bonds2

About [4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine

[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine (PubChem CID 83642807) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is [4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine
PubChem CID83642807
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine
SMILESCN1CCN(c2cc(CN)ccc2F)CC1
InChIInChI=1S/C12H18FN3/c1-15-4-6-16(7-5-15)12-8-10(9-14)2-3-11(12)13/h2-3,8H,4-7,9,14H2,1H3
InChIKeyJWGAIWQUFGUPHE-UHFFFAOYSA-N
XLogP1.04
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 84753620
N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 84753615
1-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]-4-methylpiperazine
CID 84753167
1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 84753629
[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 43313684
O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine
CID 117351173
2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 117382128
[4-(4-butan-2-ylpiperazin-1-yl)-3-fluorophenyl]methanamine
CID 62773221
[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methanamine
CID 55216553
3-[5-(aminomethyl)-2-fluorophenyl]-1-methylpiperidin-4-one
CID 130270136
3-[4-(2,5-difluorophenyl)piperazin-1-yl]propan-1-amine
CID 82482240
1-[4-[4-(aminomethyl)-2-fluorophenyl]-1,4-diazepan-1-yl]ethanone
CID 55004144

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine (CID 83642807) is [4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine is CN1CCN(c2cc(CN)ccc2F)CC1.
What is the InChIKey of [4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is JWGAIWQUFGUPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-15-4-6-16(7-5-15)12-8-10(9-14)2-3-11(12)13/h2-3,8H,4-7,9,14H2,1H3.
What are the key properties of [4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine?
[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 223.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 83642807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).