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

C10H16FN3 — CID 142647347

IUPAC1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine
SMILESCN1CCN(C2(F)C=CC=NC2)CC1
InChIInChI=1S/C10H16FN3/c1-13-5-7-14(8-6-13)10(11)3-2-4-12-9-10/h2-4H,5-9H2,1H3
InChIKeyCPRZEWAKEFVRLN-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.54
Rot. Bonds1

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

1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine (PubChem CID 142647347) has the molecular formula C10H16FN3 and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine
PubChem CID142647347
Molecular FormulaC10H16FN3
Molecular Weight197.26 g/mol
Exact Mass197.13
IUPAC Name1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine
SMILESCN1CCN(C2(F)C=CC=NC2)CC1
InChIInChI=1S/C10H16FN3/c1-13-5-7-14(8-6-13)10(11)3-2-4-12-9-10/h2-4H,5-9H2,1H3
InChIKeyCPRZEWAKEFVRLN-UHFFFAOYSA-N
XLogP0.54
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.54
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

(2R)-4-(5-fluoro-2,3-dihydropyridin-2-yl)-1,2-dimethylpiperazine
CID 144656714
1-(1-Fluorocyclohexa-2,5-dien-1-yl)-4-methylpiperazine
CID 173103515
3-Piperidin-1-yl-2,3-dihydropyridine
CID 23356626
1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine;hydrochloride
CID 142647346
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?
The IUPAC name of 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine (CID 142647347) is 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine?
The canonical SMILES for 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine is CN1CCN(C2(F)C=CC=NC2)CC1.
What is the InChIKey of 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine?
The InChIKey is CPRZEWAKEFVRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3/c1-13-5-7-14(8-6-13)10(11)3-2-4-12-9-10/h2-4H,5-9H2,1H3.
What are the key properties of 1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine?
1-(3-fluoro-2H-pyridin-3-yl)-4-methylpiperazine has a molecular weight of 197.26 g/mol, XLogP of 0.54, 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 is sourced from PubChem (CID 142647347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).