4-fluoro-4-methylpiperidine-1-carbonyl chloride

C7H11ClFNO — CID 154577300

IUPAC4-fluoro-4-methylpiperidine-1-carbonyl chloride
SMILESCC1(F)CCN(C(=O)Cl)CC1
InChIInChI=1S/C7H11ClFNO/c1-7(9)2-4-10(5-3-7)6(8)11/h2-5H2,1H3
InChIKeyJQDWAYJIBOCRMW-UHFFFAOYSA-N
MW179.62 g/mol
LogP2.17
Rot. Bonds

About 4-fluoro-4-methylpiperidine-1-carbonyl chloride

4-fluoro-4-methylpiperidine-1-carbonyl chloride (PubChem CID 154577300) has the molecular formula C7H11ClFNO and a molecular weight of 179.62 g/mol. Its IUPAC name is 4-fluoro-4-methylpiperidine-1-carbonyl chloride.

Molecular Properties

Compound Name4-fluoro-4-methylpiperidine-1-carbonyl chloride
PubChem CID154577300
Molecular FormulaC7H11ClFNO
Molecular Weight179.62 g/mol
Exact Mass179.05
IUPAC Name4-fluoro-4-methylpiperidine-1-carbonyl chloride
SMILESCC1(F)CCN(C(=O)Cl)CC1
InChIInChI=1S/C7H11ClFNO/c1-7(9)2-4-10(5-3-7)6(8)11/h2-5H2,1H3
InChIKeyJQDWAYJIBOCRMW-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.62
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-fluoro-4-methylpiperidine-1-carbonyl chloride 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

3,5-Dimethylpiperidine-1-carbonyl chloride
CID 22155860
3-Methylpiperidine-1-carbonyl chloride
CID 45081377
4,4-Difluoropiperidine-1-carbonyl chloride
CID 55263424
4,4-Dimethylpiperidine-1-carbonyl chloride
CID 79886027
4-Ethylpiperidine-1-carbonyl chloride
CID 79886896
4-(Trifluoromethyl)piperidine-1-carbonyl chloride
CID 79887081
4-Fluoro-4-methylpiperidine-1-carbaldehyde
CID 129918325
3,3-Difluoropiperidine-1-carbonyl chloride
CID 116991545
4-(Difluoromethyl)piperidine-1-carbonyl chloride
CID 126995207
CID 21037009
CID 21037009
4-(Fluoromethyl)piperidine-1-carbonyl chloride
CID 86672026
4-(1,1-Difluoroethyl)piperidine-1-carbonyl chloride
CID 87425334

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methylpiperidine-1-carbonyl chloride?
The IUPAC name of 4-fluoro-4-methylpiperidine-1-carbonyl chloride (CID 154577300) is 4-fluoro-4-methylpiperidine-1-carbonyl chloride.
What is the SMILES notation for 4-fluoro-4-methylpiperidine-1-carbonyl chloride?
The canonical SMILES for 4-fluoro-4-methylpiperidine-1-carbonyl chloride is CC1(F)CCN(C(=O)Cl)CC1.
What is the InChIKey of 4-fluoro-4-methylpiperidine-1-carbonyl chloride?
The InChIKey is JQDWAYJIBOCRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClFNO/c1-7(9)2-4-10(5-3-7)6(8)11/h2-5H2,1H3.
What are the key properties of 4-fluoro-4-methylpiperidine-1-carbonyl chloride?
4-fluoro-4-methylpiperidine-1-carbonyl chloride has a molecular weight of 179.62 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methylpiperidine-1-carbonyl chloride is sourced from PubChem (CID 154577300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).