1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol

C18H24FN3O — CID 56780677

IUPAC1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
SMILESCc1cnn(CC2CCN(CC(O)c3ccccc3F)CC2)c1
InChIInChI=1S/C18H24FN3O/c1-14-10-20-22(11-14)12-15-6-8-21(9-7-15)13-18(23)16-4-2-3-5-17(16)19/h2-5,10-11,15,18,23H,6-9,12-13H2,1H3
InChIKeyJHXLAICZYUBCKG-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.78
Rot. Bonds5

About 1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol

1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol (PubChem CID 56780677) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
PubChem CID56780677
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
SMILESCc1cnn(CC2CCN(CC(O)c3ccccc3F)CC2)c1
InChIInChI=1S/C18H24FN3O/c1-14-10-20-22(11-14)12-15-6-8-21(9-7-15)13-18(23)16-4-2-3-5-17(16)19/h2-5,10-11,15,18,23H,6-9,12-13H2,1H3
InChIKeyJHXLAICZYUBCKG-UHFFFAOYSA-N
XLogP2.78
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol (CID 56780677) is 1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol is Cc1cnn(CC2CCN(CC(O)c3ccccc3F)CC2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol?
The InChIKey is JHXLAICZYUBCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-14-10-20-22(11-14)12-15-6-8-21(9-7-15)13-18(23)16-4-2-3-5-17(16)19/h2-5,10-11,15,18,23H,6-9,12-13H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol?
1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol has a molecular weight of 317.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 56780677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).