1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine

C20H20FN — CID 102298173

IUPAC1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine
SMILESFc1ccc(C#CC(c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C20H20FN/c21-19-12-9-17(10-13-19)11-14-20(18-7-3-1-4-8-18)22-15-5-2-6-16-22/h1,3-4,7-10,12-13,20H,2,5-6,15-16H2
InChIKeyGMDOSAVPTXGONF-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.40
Rot. Bonds2

About 1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine

1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine (PubChem CID 102298173) has the molecular formula C20H20FN and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine
PubChem CID102298173
Molecular FormulaC20H20FN
Molecular Weight293.39 g/mol
Exact Mass293.16
IUPAC Name1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine
SMILESFc1ccc(C#CC(c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C20H20FN/c21-19-12-9-17(10-13-19)11-14-20(18-7-3-1-4-8-18)22-15-5-2-6-16-22/h1,3-4,7-10,12-13,20H,2,5-6,15-16H2
InChIKeyGMDOSAVPTXGONF-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine 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

1-[3-phenyl-1-(4-propan-2-ylphenyl)prop-2-ynyl]pyrrolidine
CID 142730752
1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine
CID 86079711
1-[[4-(2-phenylethynyl)phenyl]-piperidin-1-ylmethyl]piperidine
CID 71395677
1-[3-(4-pentylphenyl)-1-phenylprop-2-ynyl]piperazine
CID 86187885
1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine
CID 154716951
1-(1,5-diphenylpenta-1,4-diyn-3-yl)-4-fluorobenzene
CID 71492058
1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol
CID 69128866
4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 869202
3-(1-morpholin-4-yl-3-phenylprop-2-ynyl)phenol
CID 102055055
1-(4-benzhydrylpiperazin-1-yl)-3-(4-fluorophenyl)prop-2-yn-1-one
CID 140811870
2-(4-fluorophenyl)ethynyl-triphenylphosphanium chloride
CID 57419816
1-(4-methyl-1-phenylpent-1-yn-3-yl)pyrrolidine
CID 3360864

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine?
The IUPAC name of 1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine (CID 102298173) is 1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine is Fc1ccc(C#CC(c2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine?
The InChIKey is GMDOSAVPTXGONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN/c21-19-12-9-17(10-13-19)11-14-20(18-7-3-1-4-8-18)22-15-5-2-6-16-22/h1,3-4,7-10,12-13,20H,2,5-6,15-16H2.
What are the key properties of 1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine?
1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine has a molecular weight of 293.39 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine is sourced from PubChem (CID 102298173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).