1-(1-fluoro-3,3-dimethylpentyl)piperazine

C11H23FN2 — CID 155118501

IUPAC1-(1-fluoro-3,3-dimethylpentyl)piperazine
SMILESCCC(C)(C)CC(F)N1CCNCC1
InChIInChI=1S/C11H23FN2/c1-4-11(2,3)9-10(12)14-7-5-13-6-8-14/h10,13H,4-9H2,1-3H3
InChIKeyFQLJVAVWLPHHNF-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.01
Rot. Bonds4

About 1-(1-fluoro-3,3-dimethylpentyl)piperazine

1-(1-fluoro-3,3-dimethylpentyl)piperazine (PubChem CID 155118501) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-(1-fluoro-3,3-dimethylpentyl)piperazine.

Molecular Properties

Compound Name1-(1-fluoro-3,3-dimethylpentyl)piperazine
PubChem CID155118501
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name1-(1-fluoro-3,3-dimethylpentyl)piperazine
SMILESCCC(C)(C)CC(F)N1CCNCC1
InChIInChI=1S/C11H23FN2/c1-4-11(2,3)9-10(12)14-7-5-13-6-8-14/h10,13H,4-9H2,1-3H3
InChIKeyFQLJVAVWLPHHNF-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-fluoro-3,3-dimethylpentyl)piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoro-3,3-dimethylpentyl)piperazine?
The IUPAC name of 1-(1-fluoro-3,3-dimethylpentyl)piperazine (CID 155118501) is 1-(1-fluoro-3,3-dimethylpentyl)piperazine.
What is the SMILES notation for 1-(1-fluoro-3,3-dimethylpentyl)piperazine?
The canonical SMILES for 1-(1-fluoro-3,3-dimethylpentyl)piperazine is CCC(C)(C)CC(F)N1CCNCC1.
What is the InChIKey of 1-(1-fluoro-3,3-dimethylpentyl)piperazine?
The InChIKey is FQLJVAVWLPHHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2/c1-4-11(2,3)9-10(12)14-7-5-13-6-8-14/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-(1-fluoro-3,3-dimethylpentyl)piperazine?
1-(1-fluoro-3,3-dimethylpentyl)piperazine has a molecular weight of 202.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoro-3,3-dimethylpentyl)piperazine is sourced from PubChem (CID 155118501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).