1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine

C15H24FN3 — CID 117418093

IUPAC1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CCN2CCNCC2)cc1F
InChIInChI=1S/C15H24FN3/c1-18(2)12-14-4-3-13(11-15(14)16)5-8-19-9-6-17-7-10-19/h3-4,11,17H,5-10,12H2,1-2H3
InChIKeyXKWWFWYKAJWZEH-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.34
Rot. Bonds5

About 1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine

1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine (PubChem CID 117418093) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine
PubChem CID117418093
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CCN2CCNCC2)cc1F
InChIInChI=1S/C15H24FN3/c1-18(2)12-14-4-3-13(11-15(14)16)5-8-19-9-6-17-7-10-19/h3-4,11,17H,5-10,12H2,1-2H3
InChIKeyXKWWFWYKAJWZEH-UHFFFAOYSA-N
XLogP1.34
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline
CID 117111789
N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine
CID 117372136
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
3-fluoro-4-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 63265350
1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine
CID 84696121
1-[2-(3-chloro-4-fluorophenyl)ethyl]-1,4-diazepane
CID 82482788
O-[2-[4-[(dimethylamino)methyl]-3-fluorophenyl]ethyl]hydroxylamine
CID 117303184
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one
CID 96680180
1-[2-(2-ethyl-5-fluorophenyl)ethyl]piperazine
CID 84798240

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine (CID 117418093) is 1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(CCN2CCNCC2)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is XKWWFWYKAJWZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-18(2)12-14-4-3-13(11-15(14)16)5-8-19-9-6-17-7-10-19/h3-4,11,17H,5-10,12H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine?
1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 265.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 117418093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).