4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine

C17H18FNS — CID 11077042

IUPAC4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine
SMILESCc1csc(C(=C2CCNCC2)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNS/c1-12-10-16(20-11-12)17(14-6-8-19-9-7-14)13-2-4-15(18)5-3-13/h2-5,10-11,19H,6-9H2,1H3
InChIKeyVTUZJUXNHIQJGP-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.38
Rot. Bonds2

About 4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine

4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine (PubChem CID 11077042) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine
PubChem CID11077042
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine
SMILESCc1csc(C(=C2CCNCC2)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FNS/c1-12-10-16(20-11-12)17(14-6-8-19-9-7-14)13-2-4-15(18)5-3-13/h2-5,10-11,19H,6-9H2,1H3
InChIKeyVTUZJUXNHIQJGP-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine 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 4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine?
The IUPAC name of 4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine (CID 11077042) is 4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine?
The canonical SMILES for 4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine is Cc1csc(C(=C2CCNCC2)c2ccc(F)cc2)c1.
What is the InChIKey of 4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine?
The InChIKey is VTUZJUXNHIQJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c1-12-10-16(20-11-12)17(14-6-8-19-9-7-14)13-2-4-15(18)5-3-13/h2-5,10-11,19H,6-9H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine?
4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine has a molecular weight of 287.40 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidine is sourced from PubChem (CID 11077042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).