1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine

C14H22FN3 — CID 115230062

IUPAC1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine
SMILESCc1cc(CN(C)CN2CCNCC2)ccc1F
InChIInChI=1S/C14H22FN3/c1-12-9-13(3-4-14(12)15)10-17(2)11-18-7-5-16-6-8-18/h3-4,9,16H,5-8,10-11H2,1-2H3
InChIKeyHIIYRGPJDSRTRR-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.43
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine

1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine (PubChem CID 115230062) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine
PubChem CID115230062
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine
SMILESCc1cc(CN(C)CN2CCNCC2)ccc1F
InChIInChI=1S/C14H22FN3/c1-12-9-13(3-4-14(12)15)10-17(2)11-18-7-5-16-6-8-18/h3-4,9,16H,5-8,10-11H2,1-2H3
InChIKeyHIIYRGPJDSRTRR-UHFFFAOYSA-N
XLogP1.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine
CID 115230056
N-methyl-1-(4-methylphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115230053
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine
CID 136575376
1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine
CID 82486399
N-[(4-fluoro-3-methylphenyl)methyl]-N,2,2-trimethylbutane-1,4-diamine
CID 115204487
1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82291713
2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline
CID 117111789
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643681
2-[(3,4-dimethylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018544
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine (CID 115230062) is 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine is Cc1cc(CN(C)CN2CCNCC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine?
The InChIKey is HIIYRGPJDSRTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-12-9-13(3-4-14(12)15)10-17(2)11-18-7-5-16-6-8-18/h3-4,9,16H,5-8,10-11H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine?
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine has a molecular weight of 251.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine is sourced from PubChem (CID 115230062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).