6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine

C13H21FN4 — CID 133301548

IUPAC6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
SMILESCC(CNc1cccc(F)n1)N1CCN(C)CC1
InChIInChI=1S/C13H21FN4/c1-11(18-8-6-17(2)7-9-18)10-15-13-5-3-4-12(14)16-13/h3-5,11H,6-10H2,1-2H3,(H,15,16)
InChIKeyBAWMKQYXSKDSON-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.27
Rot. Bonds4

About 6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine

6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine (PubChem CID 133301548) has the molecular formula C13H21FN4 and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
PubChem CID133301548
Molecular FormulaC13H21FN4
Molecular Weight252.34 g/mol
Exact Mass252.18
IUPAC Name6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
SMILESCC(CNc1cccc(F)n1)N1CCN(C)CC1
InChIInChI=1S/C13H21FN4/c1-11(18-8-6-17(2)7-9-18)10-15-13-5-3-4-12(14)16-13/h3-5,11H,6-10H2,1-2H3,(H,15,16)
InChIKeyBAWMKQYXSKDSON-UHFFFAOYSA-N
XLogP1.27
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine (CID 133301548) is 6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine is CC(CNc1cccc(F)n1)N1CCN(C)CC1.
What is the InChIKey of 6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine?
The InChIKey is BAWMKQYXSKDSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN4/c1-11(18-8-6-17(2)7-9-18)10-15-13-5-3-4-12(14)16-13/h3-5,11H,6-10H2,1-2H3,(H,15,16).
What are the key properties of 6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine?
6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine has a molecular weight of 252.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine is sourced from PubChem (CID 133301548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).