4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde

C9H17FN2O — CID 175527974

IUPAC4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde
SMILESCC(C)(F)CN1CCN(C=O)CC1
InChIInChI=1S/C9H17FN2O/c1-9(2,10)7-11-3-5-12(8-13)6-4-11/h8H,3-7H2,1-2H3
InChIKeyATDSPCOPXOBGPB-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.51
Rot. Bonds3

About 4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde

4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde (PubChem CID 175527974) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde
PubChem CID175527974
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde
SMILESCC(C)(F)CN1CCN(C=O)CC1
InChIInChI=1S/C9H17FN2O/c1-9(2,10)7-11-3-5-12(8-13)6-4-11/h8H,3-7H2,1-2H3
InChIKeyATDSPCOPXOBGPB-UHFFFAOYSA-N
XLogP0.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde 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

Ethanone, 1-[4-(2-fluoropropyl)-1-piperazinyl]-
CID 45119588
1-Formyl-4-isopropylpiperazine
CID 18796408
1-[4-(2-Fluoro-2-methylpropyl)piperazin-1-yl]ethanone
CID 44521771
1-[4-(3-Fluoropropyl)piperazin-1-yl]ethanone
CID 70325509
4-(2,2-Dimethylpropyl)piperazine-1-carbaldehyde;1,1,1-trifluoropropane
CID 153594025
4-(2-Fluoropropyl)piperazine-1-carbaldehyde
CID 160908607
Formaldehyde;1-methyl-4-(3,3,3-trifluoropropyl)piperazine
CID 161634607
(2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde
CID 175527940
4-(2,2-Difluoroethyl)-2-methylpiperazine-1-carbaldehyde
CID 175527942
4-(1,3,3-Trifluoro-2,2-dimethylpropyl)piperazine-1-carbaldehyde
CID 175527970
4-(2-Ethyl-2-fluorobutyl)piperazine-1-carbaldehyde
CID 175528161
4-(2,2-Difluoropropyl)piperazine-1-carbaldehyde
CID 175528172

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde (CID 175527974) is 4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde is CC(C)(F)CN1CCN(C=O)CC1.
What is the InChIKey of 4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde?
The InChIKey is ATDSPCOPXOBGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-9(2,10)7-11-3-5-12(8-13)6-4-11/h8H,3-7H2,1-2H3.
What are the key properties of 4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde?
4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde has a molecular weight of 188.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-2-methylpropyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 175527974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).