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

C16H19F2N3O — CID 51104526

IUPAC1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(c2ccn[nH]2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C16H19F2N3O/c17-12-1-2-14(18)13(9-12)16(22)10-21-7-4-11(5-8-21)15-3-6-19-20-15/h1-3,6,9,11,16,22H,4-5,7-8,10H2,(H,19,20)
InChIKeyZPZSWQQEDCRIPR-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.60
Rot. Bonds4

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

1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol (PubChem CID 51104526) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
PubChem CID51104526
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(c2ccn[nH]2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C16H19F2N3O/c17-12-1-2-14(18)13(9-12)16(22)10-21-7-4-11(5-8-21)15-3-6-19-20-15/h1-3,6,9,11,16,22H,4-5,7-8,10H2,(H,19,20)
InChIKeyZPZSWQQEDCRIPR-UHFFFAOYSA-N
XLogP2.60
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol (CID 51104526) is 1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol is OC(CN1CCC(c2ccn[nH]2)CC1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The InChIKey is ZPZSWQQEDCRIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c17-12-1-2-14(18)13(9-12)16(22)10-21-7-4-11(5-8-21)15-3-6-19-20-15/h1-3,6,9,11,16,22H,4-5,7-8,10H2,(H,19,20).
What are the key properties of 1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol has a molecular weight of 307.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 51104526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).