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

C20H20FN — CID 25098635

IUPAC1-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]piperidine
SMILESFc1ccc(C(C#Cc2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C20H20FN/c21-19-12-10-18(11-13-19)20(22-15-5-2-6-16-22)14-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20H,2,5-6,15-16H2
InChIKeyCELSLFFGZYPODR-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.40
Rot. Bonds2

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

1-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]piperidine (PubChem CID 25098635) has the molecular formula C20H20FN and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]piperidine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]piperidine
PubChem CID25098635
Molecular FormulaC20H20FN
Molecular Weight293.39 g/mol
Exact Mass293.16
IUPAC Name1-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]piperidine
SMILESFc1ccc(C(C#Cc2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C20H20FN/c21-19-12-10-18(11-13-19)20(22-15-5-2-6-16-22)14-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20H,2,5-6,15-16H2
InChIKeyCELSLFFGZYPODR-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'}

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Related Compounds

Cinnarizine
CID 1547484
Cyclizine
CID 6726
Phencyclidine
CID 6468
Flunarizine
CID 941361
Benzphetamine
CID 5311017
Flunarizine Hydrochloride
CID 5282407
Phencyclidine Hydrochloride
CID 9795678
Cyclizine Hydrochloride
CID 6420019
Benzfetamine
CID 2341
1,4-Dibenzylpiperazine
CID 200601
Benzphetamine Hydrochloride
CID 11558159
Tribenzylamine
CID 24321

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]piperidine?
The IUPAC name of 1-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]piperidine (CID 25098635) is 1-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]piperidine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]piperidine?
The canonical SMILES for 1-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]piperidine is Fc1ccc(C(C#Cc2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]piperidine?
The InChIKey is CELSLFFGZYPODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN/c21-19-12-10-18(11-13-19)20(22-15-5-2-6-16-22)14-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20H,2,5-6,15-16H2.
What are the key properties of 1-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]piperidine?
1-[1-(4-fluorophenyl)-3-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-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]piperidine is sourced from PubChem (CID 25098635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).