1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine

C17H28FN3 — CID 75428016

IUPAC1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
SMILESCCC(NC(C)CN1CCN(C)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H28FN3/c1-4-17(15-5-7-16(18)8-6-15)19-14(2)13-21-11-9-20(3)10-12-21/h5-8,14,17,19H,4,9-13H2,1-3H3
InChIKeyVANCZKSBRLNGBW-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.50
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine

1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine (PubChem CID 75428016) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
PubChem CID75428016
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
SMILESCCC(NC(C)CN1CCN(C)CC1)c1ccc(F)cc1
InChIInChI=1S/C17H28FN3/c1-4-17(15-5-7-16(18)8-6-15)19-14(2)13-21-11-9-20(3)10-12-21/h5-8,14,17,19H,4,9-13H2,1-3H3
InChIKeyVANCZKSBRLNGBW-UHFFFAOYSA-N
XLogP2.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine 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

(1S)-1-(4-fluorophenyl)-N-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
CID 97322268
1-(4-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine
CID 167847372
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43675888
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
1-(5-fluoro-2-pyridinyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 112583060
N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 104827878
N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine
CID 54949998
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)propan-1-amine
CID 61475275
4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530804
N-[bis(4-fluorophenyl)methyl]butan-2-amine
CID 170075014

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine (CID 75428016) is 1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine is CCC(NC(C)CN1CCN(C)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine?
The InChIKey is VANCZKSBRLNGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-4-17(15-5-7-16(18)8-6-15)19-14(2)13-21-11-9-20(3)10-12-21/h5-8,14,17,19H,4,9-13H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine?
1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propan-1-amine is sourced from PubChem (CID 75428016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).