4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol

C17H21FN2O — CID 14391476

IUPAC4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cccn2Cc2ccccc2F)CC1
InChIInChI=1S/C17H21FN2O/c1-19-11-8-17(21,9-12-19)16-7-4-10-20(16)13-14-5-2-3-6-15(14)18/h2-7,10,21H,8-9,11-13H2,1H3
InChIKeyLFHZETUBWMXDTK-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.59
Rot. Bonds3

About 4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol

4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol (PubChem CID 14391476) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol
PubChem CID14391476
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2cccn2Cc2ccccc2F)CC1
InChIInChI=1S/C17H21FN2O/c1-19-11-8-17(21,9-12-19)16-7-4-10-20(16)13-14-5-2-3-6-15(14)18/h2-7,10,21H,8-9,11-13H2,1H3
InChIKeyLFHZETUBWMXDTK-UHFFFAOYSA-N
XLogP2.59
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol (CID 14391476) is 4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol is CN1CCC(O)(c2cccn2Cc2ccccc2F)CC1.
What is the InChIKey of 4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol?
The InChIKey is LFHZETUBWMXDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-19-11-8-17(21,9-12-19)16-7-4-10-20(16)13-14-5-2-3-6-15(14)18/h2-7,10,21H,8-9,11-13H2,1H3.
What are the key properties of 4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol?
4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol has a molecular weight of 288.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 14391476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).