(2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone

C16H17FN2O — CID 116564738

IUPAC(2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESO=C(c1ccccc1F)c1cccn1C1CCNCC1
InChIInChI=1S/C16H17FN2O/c17-14-5-2-1-4-13(14)16(20)15-6-3-11-19(15)12-7-9-18-10-8-12/h1-6,11-12,18H,7-10H2
InChIKeyWUHMQUJJFRCDKB-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.78
Rot. Bonds3

About (2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone

(2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone (PubChem CID 116564738) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is (2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
PubChem CID116564738
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name(2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESO=C(c1ccccc1F)c1cccn1C1CCNCC1
InChIInChI=1S/C16H17FN2O/c17-14-5-2-1-4-13(14)16(20)15-6-3-11-19(15)12-7-9-18-10-8-12/h1-6,11-12,18H,7-10H2
InChIKeyWUHMQUJJFRCDKB-UHFFFAOYSA-N
XLogP2.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone (CID 116564738) is (2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone is O=C(c1ccccc1F)c1cccn1C1CCNCC1.
What is the InChIKey of (2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The InChIKey is WUHMQUJJFRCDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-14-5-2-1-4-13(14)16(20)15-6-3-11-19(15)12-7-9-18-10-8-12/h1-6,11-12,18H,7-10H2.
What are the key properties of (2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
(2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone has a molecular weight of 272.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 116564738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).