1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine

C24H27FN2 — CID 14578747

IUPAC1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine
SMILESCC(C)c1cc(-c2ccc(F)cc2)c(-c2ccccc2)n1N1CCCCC1
InChIInChI=1S/C24H27FN2/c1-18(2)23-17-22(19-11-13-21(25)14-12-19)24(20-9-5-3-6-10-20)27(23)26-15-7-4-8-16-26/h3,5-6,9-14,17-18H,4,7-8,15-16H2,1-2H3
InChIKeyOESQYSIQGCGRQO-UHFFFAOYSA-N
MW362.49 g/mol
LogP6.21
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine

1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine (PubChem CID 14578747) has the molecular formula C24H27FN2 and a molecular weight of 362.49 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine
PubChem CID14578747
Molecular FormulaC24H27FN2
Molecular Weight362.49 g/mol
Exact Mass362.22
IUPAC Name1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine
SMILESCC(C)c1cc(-c2ccc(F)cc2)c(-c2ccccc2)n1N1CCCCC1
InChIInChI=1S/C24H27FN2/c1-18(2)23-17-22(19-11-13-21(25)14-12-19)24(20-9-5-3-6-10-20)27(23)26-15-7-4-8-16-26/h3,5-6,9-14,17-18H,4,7-8,15-16H2,1-2H3
InChIKeyOESQYSIQGCGRQO-UHFFFAOYSA-N
XLogP6.21
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.49
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine (CID 14578747) is 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine is CC(C)c1cc(-c2ccc(F)cc2)c(-c2ccccc2)n1N1CCCCC1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine?
The InChIKey is OESQYSIQGCGRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2/c1-18(2)23-17-22(19-11-13-21(25)14-12-19)24(20-9-5-3-6-10-20)27(23)26-15-7-4-8-16-26/h3,5-6,9-14,17-18H,4,7-8,15-16H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine?
1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine has a molecular weight of 362.49 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]piperidine is sourced from PubChem (CID 14578747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).