2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline

C14H22FN3 — CID 117111789

IUPAC2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline
SMILESCN(C)c1cc(CCN2CCNCC2)ccc1F
InChIInChI=1S/C14H22FN3/c1-17(2)14-11-12(3-4-13(14)15)5-8-18-9-6-16-7-10-18/h3-4,11,16H,5-10H2,1-2H3
InChIKeyVYAMMYQSKXZUAD-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.34
Rot. Bonds4

About 2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline

2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline (PubChem CID 117111789) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline
PubChem CID117111789
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline
SMILESCN(C)c1cc(CCN2CCNCC2)ccc1F
InChIInChI=1S/C14H22FN3/c1-17(2)14-11-12(3-4-13(14)15)5-8-18-9-6-16-7-10-18/h3-4,11,16H,5-10H2,1-2H3
InChIKeyVYAMMYQSKXZUAD-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine
CID 117418093
1-[2-(3-chloro-4-fluorophenyl)ethyl]-1,4-diazepane
CID 82482788
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82116765
N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine
CID 117372136
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
CID 117353486
1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one
CID 96680180
1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine
CID 84696121
1-[2-(3,4-dimethylphenyl)ethyl]-1,4-diazepane
CID 82289921
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine
CID 117389286

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline?
The IUPAC name of 2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline (CID 117111789) is 2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline?
The canonical SMILES for 2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline is CN(C)c1cc(CCN2CCNCC2)ccc1F.
What is the InChIKey of 2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline?
The InChIKey is VYAMMYQSKXZUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-17(2)14-11-12(3-4-13(14)15)5-8-18-9-6-16-7-10-18/h3-4,11,16H,5-10H2,1-2H3.
What are the key properties of 2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline?
2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline has a molecular weight of 251.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline is sourced from PubChem (CID 117111789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).