1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride

C10H17ClFN3 — CID 142647346

IUPAC1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride
SMILESCN1CCN(C2(F)C=CC=NC2)CC1.Cl
InChIInChI=1S/C10H16FN3.ClH/c1-13-5-7-14(8-6-13)10(11)3-2-4-12-9-10;/h2-4H,5-9H2,1H3;1H
InChIKeySGHVWQXLNDXFNA-UHFFFAOYSA-N
MW233.72 g/mol
LogP0.96
Rot. Bonds1

About 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride

1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride (PubChem CID 142647346) has the molecular formula C10H17ClFN3 and a molecular weight of 233.72 g/mol. Its IUPAC name is 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride
PubChem CID142647346
Molecular FormulaC10H17ClFN3
Molecular Weight233.72 g/mol
Exact Mass233.11
IUPAC Name1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride
SMILESCN1CCN(C2(F)C=CC=NC2)CC1.Cl
InChIInChI=1S/C10H16FN3.ClH/c1-13-5-7-14(8-6-13)10(11)3-2-4-12-9-10;/h2-4H,5-9H2,1H3;1H
InChIKeySGHVWQXLNDXFNA-UHFFFAOYSA-N
XLogP0.96
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine
CID 142647347
ethane;(Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]pent-2-en-1-imine
CID 144144771
4-(2,3-Dihydropyridin-3-yl)-1,2,2-trimethylpiperazine
CID 169847271
1-(2,3-Dihydropyridin-3-yl)-4-methylpiperazine
CID 173103431
(Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]pent-2-en-1-imine
CID 144144772

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride (CID 142647346) is 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride is CN1CCN(C2(F)C=CC=NC2)CC1.Cl.
What is the InChIKey of 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride?
The InChIKey is SGHVWQXLNDXFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3.ClH/c1-13-5-7-14(8-6-13)10(11)3-2-4-12-9-10;/h2-4H,5-9H2,1H3;1H.
What are the key properties of 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride?
1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride has a molecular weight of 233.72 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 142647346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).