1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol

C16H20FN3O — CID 51104386

IUPAC1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(c2ccn[nH]2)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O/c17-14-3-1-13(2-4-14)16(21)11-20-9-6-12(7-10-20)15-5-8-18-19-15/h1-5,8,12,16,21H,6-7,9-11H2,(H,18,19)
InChIKeyVCBBSAKJDRGIOD-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.46
Rot. Bonds4

About 1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol

1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol (PubChem CID 51104386) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
PubChem CID51104386
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(c2ccn[nH]2)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O/c17-14-3-1-13(2-4-14)16(21)11-20-9-6-12(7-10-20)15-5-8-18-19-15/h1-5,8,12,16,21H,6-7,9-11H2,(H,18,19)
InChIKeyVCBBSAKJDRGIOD-UHFFFAOYSA-N
XLogP2.46
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol (CID 51104386) is 1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol is OC(CN1CCC(c2ccn[nH]2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The InChIKey is VCBBSAKJDRGIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-14-3-1-13(2-4-14)16(21)11-20-9-6-12(7-10-20)15-5-8-18-19-15/h1-5,8,12,16,21H,6-7,9-11H2,(H,18,19).
What are the key properties of 1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol has a molecular weight of 289.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 51104386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).