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

C16H19F2N3O — CID 86773453

IUPAC1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(c2cn[nH]c2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C16H19F2N3O/c17-13-1-2-14(15(18)7-13)16(22)10-21-5-3-11(4-6-21)12-8-19-20-9-12/h1-2,7-9,11,16,22H,3-6,10H2,(H,19,20)
InChIKeySZBCAHPNWNDAQD-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.60
Rot. Bonds4

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

1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol (PubChem CID 86773453) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol
PubChem CID86773453
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol
SMILESOC(CN1CCC(c2cn[nH]c2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C16H19F2N3O/c17-13-1-2-14(15(18)7-13)16(22)10-21-5-3-11(4-6-21)12-8-19-20-9-12/h1-2,7-9,11,16,22H,3-6,10H2,(H,19,20)
InChIKeySZBCAHPNWNDAQD-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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Related Compounds

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1-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 110903106
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
CID 95137870
1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111122492
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CID 110898010
(1R)-1-(2,4-difluorophenyl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 95569764
(1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
CID 100851245
6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline
CID 86773477
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol (CID 86773453) is 1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol is OC(CN1CCC(c2cn[nH]c2)CC1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol?
The InChIKey is SZBCAHPNWNDAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c17-13-1-2-14(15(18)7-13)16(22)10-21-5-3-11(4-6-21)12-8-19-20-9-12/h1-2,7-9,11,16,22H,3-6,10H2,(H,19,20).
What are the key properties of 1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol?
1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-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-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 86773453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).