2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide

C13H19FN4O — CID 80506422

IUPAC2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide
SMILESCN1CCN(c2ccc(F)cc2C(N)=O)C(CN)C1
InChIInChI=1S/C13H19FN4O/c1-17-4-5-18(10(7-15)8-17)12-3-2-9(14)6-11(12)13(16)19/h2-3,6,10H,4-5,7-8,15H2,1H3,(H2,16,19)
InChIKeyRMLCDAPXYGRZPX-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.00
Rot. Bonds3

About 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide (PubChem CID 80506422) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide
PubChem CID80506422
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide
SMILESCN1CCN(c2ccc(F)cc2C(N)=O)C(CN)C1
InChIInChI=1S/C13H19FN4O/c1-17-4-5-18(10(7-15)8-17)12-3-2-9(14)6-11(12)13(16)19/h2-3,6,10H,4-5,7-8,15H2,1H3,(H2,16,19)
InChIKeyRMLCDAPXYGRZPX-UHFFFAOYSA-N
XLogP0.00
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide (CID 80506422) is 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide is CN1CCN(c2ccc(F)cc2C(N)=O)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide?
The InChIKey is RMLCDAPXYGRZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-17-4-5-18(10(7-15)8-17)12-3-2-9(14)6-11(12)13(16)19/h2-3,6,10H,4-5,7-8,15H2,1H3,(H2,16,19).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide?
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide has a molecular weight of 266.32 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-5-fluorobenzamide is sourced from PubChem (CID 80506422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).