1-(2-fluoro-4-pyridinyl)-3-methylpiperazine

C10H14FN3 — CID 174207451

IUPAC1-(2-fluoro-4-pyridinyl)-3-methylpiperazine
SMILESCC1CN(c2ccnc(F)c2)CCN1
InChIInChI=1S/C10H14FN3/c1-8-7-14(5-4-12-8)9-2-3-13-10(11)6-9/h2-3,6,8,12H,4-5,7H2,1H3
InChIKeyTZBVOEYZBPPHNJ-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.02
Rot. Bonds1

About 1-(2-fluoro-4-pyridinyl)-3-methylpiperazine

1-(2-fluoro-4-pyridinyl)-3-methylpiperazine (PubChem CID 174207451) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-(2-fluoro-4-pyridinyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(2-fluoro-4-pyridinyl)-3-methylpiperazine
PubChem CID174207451
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name1-(2-fluoro-4-pyridinyl)-3-methylpiperazine
SMILESCC1CN(c2ccnc(F)c2)CCN1
InChIInChI=1S/C10H14FN3/c1-8-7-14(5-4-12-8)9-2-3-13-10(11)6-9/h2-3,6,8,12H,4-5,7H2,1H3
InChIKeyTZBVOEYZBPPHNJ-UHFFFAOYSA-N
XLogP1.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(2-fluoro-4-pyridinyl)-3-methylpiperazine?
The IUPAC name of 1-(2-fluoro-4-pyridinyl)-3-methylpiperazine (CID 174207451) is 1-(2-fluoro-4-pyridinyl)-3-methylpiperazine.
What is the SMILES notation for 1-(2-fluoro-4-pyridinyl)-3-methylpiperazine?
The canonical SMILES for 1-(2-fluoro-4-pyridinyl)-3-methylpiperazine is CC1CN(c2ccnc(F)c2)CCN1.
What is the InChIKey of 1-(2-fluoro-4-pyridinyl)-3-methylpiperazine?
The InChIKey is TZBVOEYZBPPHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3/c1-8-7-14(5-4-12-8)9-2-3-13-10(11)6-9/h2-3,6,8,12H,4-5,7H2,1H3.
What are the key properties of 1-(2-fluoro-4-pyridinyl)-3-methylpiperazine?
1-(2-fluoro-4-pyridinyl)-3-methylpiperazine has a molecular weight of 195.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-pyridinyl)-3-methylpiperazine is sourced from PubChem (CID 174207451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).