1-tert-butyl-4-(fluoromethyl)piperazine

C9H19FN2 — CID 171581155

IUPAC1-tert-butyl-4-(fluoromethyl)piperazine
SMILESCC(C)(C)N1CCN(CF)CC1
InChIInChI=1S/C9H19FN2/c1-9(2,3)12-6-4-11(8-10)5-7-12/h4-8H2,1-3H3
InChIKeyIFVFLQGJZSLJEN-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.33
Rot. Bonds1

About 1-tert-butyl-4-(fluoromethyl)piperazine

1-tert-butyl-4-(fluoromethyl)piperazine (PubChem CID 171581155) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 1-tert-butyl-4-(fluoromethyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(fluoromethyl)piperazine
PubChem CID171581155
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name1-tert-butyl-4-(fluoromethyl)piperazine
SMILESCC(C)(C)N1CCN(CF)CC1
InChIInChI=1S/C9H19FN2/c1-9(2,3)12-6-4-11(8-10)5-7-12/h4-8H2,1-3H3
InChIKeyIFVFLQGJZSLJEN-UHFFFAOYSA-N
XLogP1.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-4-(fluoromethyl)piperazine 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

2-(4-Ethyl-1-piperazinyl)-2-methyl-1-propanamine
CID 9161367
1-(2-Fluoroethyl)-1,4-dimethylpiperazin-1-ium
CID 12138844
1-(3-Fluoropropyl)-4-methylpiperazine
CID 20649680
1-(1-Fluoro-2-methylpropan-2-yl)piperazine
CID 57586043
1-(1-Fluoro-2-methylpropan-2-yl)-4-methanidylpiperazin-4-ium
CID 57868108
1-Propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine
CID 58029464
1-(2-Fluoroethyl)-4-(propan-2-yl)piperazine
CID 58029889
1-(2,2-Difluoroethyl)-4-propan-2-ylpiperazine
CID 58366788
1-(2-Fluoropropyl)-4-propan-2-ylpiperazine
CID 58366831
1-Tert-butyl-4-(3,3,3-trifluoropropyl)piperazine
CID 59520016
1-Ethyl-4-(2-fluoroethyl)piperazine
CID 59628473
1-Tert-butyl-4-(2,2,2-trifluoroethyl)piperazine
CID 59670651

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(fluoromethyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(fluoromethyl)piperazine (CID 171581155) is 1-tert-butyl-4-(fluoromethyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(fluoromethyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(fluoromethyl)piperazine is CC(C)(C)N1CCN(CF)CC1.
What is the InChIKey of 1-tert-butyl-4-(fluoromethyl)piperazine?
The InChIKey is IFVFLQGJZSLJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-9(2,3)12-6-4-11(8-10)5-7-12/h4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(fluoromethyl)piperazine?
1-tert-butyl-4-(fluoromethyl)piperazine has a molecular weight of 174.26 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(fluoromethyl)piperazine is sourced from PubChem (CID 171581155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).