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

C25H29FN2 — CID 14578771

IUPAC1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]-4-methylpiperidine
SMILESCC1CCN(n2c(C(C)C)cc(-c3ccc(F)cc3)c2-c2ccccc2)CC1
InChIInChI=1S/C25H29FN2/c1-18(2)24-17-23(20-9-11-22(26)12-10-20)25(21-7-5-4-6-8-21)28(24)27-15-13-19(3)14-16-27/h4-12,17-19H,13-16H2,1-3H3
InChIKeyRIRPLNBBBWOXSK-UHFFFAOYSA-N
MW376.52 g/mol
LogP6.45
Rot. Bonds4

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

1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]-4-methylpiperidine (PubChem CID 14578771) has the molecular formula C25H29FN2 and a molecular weight of 376.52 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]-4-methylpiperidine
PubChem CID14578771
Molecular FormulaC25H29FN2
Molecular Weight376.52 g/mol
Exact Mass376.23
IUPAC Name1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]-4-methylpiperidine
SMILESCC1CCN(n2c(C(C)C)cc(-c3ccc(F)cc3)c2-c2ccccc2)CC1
InChIInChI=1S/C25H29FN2/c1-18(2)24-17-23(20-9-11-22(26)12-10-20)25(21-7-5-4-6-8-21)28(24)27-15-13-19(3)14-16-27/h4-12,17-19H,13-16H2,1-3H3
InChIKeyRIRPLNBBBWOXSK-UHFFFAOYSA-N
XLogP6.45
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 56.45
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]-4-methylpiperidine?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]-4-methylpiperidine (CID 14578771) is 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]-4-methylpiperidine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]-4-methylpiperidine is CC1CCN(n2c(C(C)C)cc(-c3ccc(F)cc3)c2-c2ccccc2)CC1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]-4-methylpiperidine?
The InChIKey is RIRPLNBBBWOXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2/c1-18(2)24-17-23(20-9-11-22(26)12-10-20)25(21-7-5-4-6-8-21)28(24)27-15-13-19(3)14-16-27/h4-12,17-19H,13-16H2,1-3H3.
What are the key properties of 1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]-4-methylpiperidine?
1-[3-(4-fluorophenyl)-2-phenyl-5-propan-2-ylpyrrol-1-yl]-4-methylpiperidine has a molecular weight of 376.52 g/mol, XLogP of 6.45, 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]-4-methylpiperidine is sourced from PubChem (CID 14578771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).