2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine

C15H24FN3 — CID 63343811

IUPAC2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H24FN3/c1-15(2,12-17)19-9-7-18(8-10-19)11-13-3-5-14(16)6-4-13/h3-6H,7-12,17H2,1-2H3
InChIKeyVBOVJWRIZWIJTC-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.68
Rot. Bonds4

About 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine

2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine (PubChem CID 63343811) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
PubChem CID63343811
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H24FN3/c1-15(2,12-17)19-9-7-18(8-10-19)11-13-3-5-14(16)6-4-13/h3-6H,7-12,17H2,1-2H3
InChIKeyVBOVJWRIZWIJTC-UHFFFAOYSA-N
XLogP1.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-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

1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropanethioamide
CID 63342536
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 110932473
1-tert-butyl-4-[[4-(chloromethyl)phenyl]methyl]piperazine
CID 67328022
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6467730
tert-butyl 4-[(4-fluorophenyl)methyl]piperazine-1-carboxylate;ethane
CID 143091032
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 63344190
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
4-[[4-(2,4,4-trimethylpentan-2-yl)piperazin-1-yl]methyl]benzoic acid
CID 122035157
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine (CID 63343811) is 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine is CC(C)(CN)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine?
The InChIKey is VBOVJWRIZWIJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-15(2,12-17)19-9-7-18(8-10-19)11-13-3-5-14(16)6-4-13/h3-6H,7-12,17H2,1-2H3.
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine?
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 63343811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).