2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline

C15H25FN4 — CID 103590336

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline
SMILESCc1cc(N2CCN(CCN(C)C)CC2)c(N)cc1F
InChIInChI=1S/C15H25FN4/c1-12-10-15(14(17)11-13(12)16)20-8-6-19(7-9-20)5-4-18(2)3/h10-11H,4-9,17H2,1-3H3
InChIKeyPDTYGVARGBVOBF-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.40
Rot. Bonds4

About 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline (PubChem CID 103590336) has the molecular formula C15H25FN4 and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline
PubChem CID103590336
Molecular FormulaC15H25FN4
Molecular Weight280.39 g/mol
Exact Mass280.21
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline
SMILESCc1cc(N2CCN(CCN(C)C)CC2)c(N)cc1F
InChIInChI=1S/C15H25FN4/c1-12-10-15(14(17)11-13(12)16)20-8-6-19(7-9-20)5-4-18(2)3/h10-11H,4-9,17H2,1-3H3
InChIKeyPDTYGVARGBVOBF-UHFFFAOYSA-N
XLogP1.40
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline (CID 103590336) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline is Cc1cc(N2CCN(CCN(C)C)CC2)c(N)cc1F.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline?
The InChIKey is PDTYGVARGBVOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4/c1-12-10-15(14(17)11-13(12)16)20-8-6-19(7-9-20)5-4-18(2)3/h10-11H,4-9,17H2,1-3H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline has a molecular weight of 280.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-5-fluoro-4-methylaniline is sourced from PubChem (CID 103590336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).