2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine

C9H19FN2 — CID 168838550

IUPAC2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)CC1CF
InChIInChI=1S/C9H19FN2/c1-8(2)12-5-4-11(3)7-9(12)6-10/h8-9H,4-7H2,1-3H3
InChIKeyLIYDSALIQPJERT-UHFFFAOYSA-N
MW174.26 g/mol
LogP0.98
Rot. Bonds2

About 2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine

2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine (PubChem CID 168838550) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine
PubChem CID168838550
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C)CC1CF
InChIInChI=1S/C9H19FN2/c1-8(2)12-5-4-11(3)7-9(12)6-10/h8-9H,4-7H2,1-3H3
InChIKeyLIYDSALIQPJERT-UHFFFAOYSA-N
XLogP0.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine 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

4-ethyl-2-(fluoromethyl)-1-propan-2-ylpiperazine
CID 167076354
4-methyl-1,2-di(propan-2-yl)piperazine
CID 58964341
[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine
CID 80504523
(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine
CID 80505747
[1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine
CID 114868447
2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanoic acid
CID 83819489
[4-methyl-1-(6,6,6-trifluorohexan-2-yl)piperazin-2-yl]methanamine
CID 116535695
ethane;2-ethyl-1-heptan-4-yl-4-methylpiperazine
CID 143280877
3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile
CID 80505892
2-fluoro-1,3-di(propan-2-yl)imidazolidine
CID 70243177
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine?
The IUPAC name of 2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine (CID 168838550) is 2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine.
What is the SMILES notation for 2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine?
The canonical SMILES for 2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine is CC(C)N1CCN(C)CC1CF.
What is the InChIKey of 2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine?
The InChIKey is LIYDSALIQPJERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-8(2)12-5-4-11(3)7-9(12)6-10/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine?
2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine has a molecular weight of 174.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 168838550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).