4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine

C18H21FN2 — CID 138615309

IUPAC4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine
SMILESC=CC1CCN(CC2=CCC(c3ccc(F)cc3)=N2)CC1
InChIInChI=1S/C18H21FN2/c1-2-14-9-11-21(12-10-14)13-17-7-8-18(20-17)15-3-5-16(19)6-4-15/h2-7,14H,1,8-13H2
InChIKeyTZIFCJGTAOELRX-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.80
Rot. Bonds4

About 4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine

4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine (PubChem CID 138615309) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine
PubChem CID138615309
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine
SMILESC=CC1CCN(CC2=CCC(c3ccc(F)cc3)=N2)CC1
InChIInChI=1S/C18H21FN2/c1-2-14-9-11-21(12-10-14)13-17-7-8-18(20-17)15-3-5-16(19)6-4-15/h2-7,14H,1,8-13H2
InChIKeyTZIFCJGTAOELRX-UHFFFAOYSA-N
XLogP3.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine?
The IUPAC name of 4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine (CID 138615309) is 4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine.
What is the SMILES notation for 4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine?
The canonical SMILES for 4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine is C=CC1CCN(CC2=CCC(c3ccc(F)cc3)=N2)CC1.
What is the InChIKey of 4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine?
The InChIKey is TZIFCJGTAOELRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-2-14-9-11-21(12-10-14)13-17-7-8-18(20-17)15-3-5-16(19)6-4-15/h2-7,14H,1,8-13H2.
What are the key properties of 4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine?
4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine has a molecular weight of 284.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[[2-(4-fluorophenyl)-3H-pyrrol-5-yl]methyl]piperidine is sourced from PubChem (CID 138615309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).