1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine

C15H24FN3 — CID 116960976

IUPAC1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCNC(c1ccc(F)c(C)c1)C(C)N1CCNCC1
InChIInChI=1S/C15H24FN3/c1-11-10-13(4-5-14(11)16)15(17-3)12(2)19-8-6-18-7-9-19/h4-5,10,12,15,17-18H,6-9H2,1-3H3
InChIKeyKIKKKXWWIXZBNL-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.69
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine

1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine (PubChem CID 116960976) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
PubChem CID116960976
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCNC(c1ccc(F)c(C)c1)C(C)N1CCNCC1
InChIInChI=1S/C15H24FN3/c1-11-10-13(4-5-14(11)16)15(17-3)12(2)19-8-6-18-7-9-19/h4-5,10,12,15,17-18H,6-9H2,1-3H3
InChIKeyKIKKKXWWIXZBNL-UHFFFAOYSA-N
XLogP1.69
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960972
1-(4-bromophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960974
1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
CID 171310881
2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
CID 116960994
1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 28799243
1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 171169540
1-[(1R)-1-(4-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304499
N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-3-yl)propan-1-amine
CID 116960983
N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116960987
1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine
CID 79746964
2-(4-fluoro-3-methylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82304187

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine (CID 116960976) is 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine is CNC(c1ccc(F)c(C)c1)C(C)N1CCNCC1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine?
The InChIKey is KIKKKXWWIXZBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-11-10-13(4-5-14(11)16)15(17-3)12(2)19-8-6-18-7-9-19/h4-5,10,12,15,17-18H,6-9H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine?
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116960976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).