[3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol

C23H26FN3O — CID 45174640

IUPAC[3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2)CCCN(Cc2cn[nH]c2-c2ccc(F)cc2)C1
InChIInChI=1S/C23H26FN3O/c24-21-9-7-19(8-10-21)22-20(14-25-26-22)15-27-12-4-11-23(16-27,17-28)13-18-5-2-1-3-6-18/h1-3,5-10,14,28H,4,11-13,15-17H2,(H,25,26)
InChIKeyJHZTVMGSGHAQGP-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.03
Rot. Bonds6

About [3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol

[3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol (PubChem CID 45174640) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is [3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol
PubChem CID45174640
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name[3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2)CCCN(Cc2cn[nH]c2-c2ccc(F)cc2)C1
InChIInChI=1S/C23H26FN3O/c24-21-9-7-19(8-10-21)22-20(14-25-26-22)15-27-12-4-11-23(16-27,17-28)13-18-5-2-1-3-6-18/h1-3,5-10,14,28H,4,11-13,15-17H2,(H,25,26)
InChIKeyJHZTVMGSGHAQGP-UHFFFAOYSA-N
XLogP4.03
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol (CID 45174640) is [3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol is OCC1(Cc2ccccc2)CCCN(Cc2cn[nH]c2-c2ccc(F)cc2)C1.
What is the InChIKey of [3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is JHZTVMGSGHAQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c24-21-9-7-19(8-10-21)22-20(14-25-26-22)15-27-12-4-11-23(16-27,17-28)13-18-5-2-1-3-6-18/h1-3,5-10,14,28H,4,11-13,15-17H2,(H,25,26).
What are the key properties of [3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol?
[3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 379.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 45174640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).