1-fluoro-2-methylpiperazine

C5H11FN2 — CID 142193617

IUPAC1-fluoro-2-methylpiperazine
SMILESCC1CNCCN1F
InChIInChI=1S/C5H11FN2/c1-5-4-7-2-3-8(5)6/h5,7H,2-4H2,1H3
InChIKeyJZSKBAGIQJOCPQ-UHFFFAOYSA-N
MW118.16 g/mol
LogP0.16
Rot. Bonds

About 1-fluoro-2-methylpiperazine

1-fluoro-2-methylpiperazine (PubChem CID 142193617) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is 1-fluoro-2-methylpiperazine.

Molecular Properties

Compound Name1-fluoro-2-methylpiperazine
PubChem CID142193617
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name1-fluoro-2-methylpiperazine
SMILESCC1CNCCN1F
InChIInChI=1S/C5H11FN2/c1-5-4-7-2-3-8(5)6/h5,7H,2-4H2,1H3
InChIKeyJZSKBAGIQJOCPQ-UHFFFAOYSA-N
XLogP0.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-fluoro-2-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-iodo-2-methylpiperazine
CID 154534640
1,2-dimethylpiperazine;hydrate
CID 173257182
2-methylpiperazine-1-sulfinic acid
CID 89262183
(2R)-1-(2-fluoroethyl)-2-methylpiperazine
CID 82761196
(2S)-2-methyl-1-nitrosopiperazine
CID 172967702
(2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine
CID 174973107
(2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine
CID 174972324
ethane;(2S)-1-ethyl-2-methylpiperazine
CID 154651366
(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
CID 57463733
2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64565894
(2R)-1-(3-fluoropropyl)-2-methylpiperazine
CID 82761622
(2R)-1-cyclopentyl-2-methylpiperazine
CID 79002573

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylpiperazine?
The IUPAC name of 1-fluoro-2-methylpiperazine (CID 142193617) is 1-fluoro-2-methylpiperazine.
What is the SMILES notation for 1-fluoro-2-methylpiperazine?
The canonical SMILES for 1-fluoro-2-methylpiperazine is CC1CNCCN1F.
What is the InChIKey of 1-fluoro-2-methylpiperazine?
The InChIKey is JZSKBAGIQJOCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN2/c1-5-4-7-2-3-8(5)6/h5,7H,2-4H2,1H3.
What are the key properties of 1-fluoro-2-methylpiperazine?
1-fluoro-2-methylpiperazine has a molecular weight of 118.16 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylpiperazine is sourced from PubChem (CID 142193617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).