4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride

C13H15ClFNO — CID 74601493

IUPAC4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride
SMILESCN1CCC(c2ccc(F)cc2)C(C(=O)Cl)C1
InChIInChI=1S/C13H15ClFNO/c1-16-7-6-11(12(8-16)13(14)17)9-2-4-10(15)5-3-9/h2-5,11-12H,6-8H2,1H3
InChIKeySQRWDCATCMWJBI-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.63
Rot. Bonds2

About 4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride

4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride (PubChem CID 74601493) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride
PubChem CID74601493
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride
SMILESCN1CCC(c2ccc(F)cc2)C(C(=O)Cl)C1
InChIInChI=1S/C13H15ClFNO/c1-16-7-6-11(12(8-16)13(14)17)9-2-4-10(15)5-3-9/h2-5,11-12H,6-8H2,1H3
InChIKeySQRWDCATCMWJBI-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride?
The IUPAC name of 4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride (CID 74601493) is 4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride?
The canonical SMILES for 4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride is CN1CCC(c2ccc(F)cc2)C(C(=O)Cl)C1.
What is the InChIKey of 4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride?
The InChIKey is SQRWDCATCMWJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-16-7-6-11(12(8-16)13(14)17)9-2-4-10(15)5-3-9/h2-5,11-12H,6-8H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride?
4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride has a molecular weight of 255.72 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methylpiperidine-3-carbonyl chloride is sourced from PubChem (CID 74601493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).