(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol

C17H22FN3O — CID 129448916

IUPAC(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
SMILESO[C@@H](CN1CCCC[C@H]1Cn1cccn1)c1ccccc1F
InChIInChI=1S/C17H22FN3O/c18-16-8-2-1-7-15(16)17(22)13-20-10-4-3-6-14(20)12-21-11-5-9-19-21/h1-2,5,7-9,11,14,17,22H,3-4,6,10,12-13H2/t14-,17-/m0/s1
InChIKeyADMCBALGLVCVAN-YOEHRIQHSA-N
MW303.38 g/mol
LogP2.61
Rot. Bonds5

About (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol

(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol (PubChem CID 129448916) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
PubChem CID129448916
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
SMILESO[C@@H](CN1CCCC[C@H]1Cn1cccn1)c1ccccc1F
InChIInChI=1S/C17H22FN3O/c18-16-8-2-1-7-15(16)17(22)13-20-10-4-3-6-14(20)12-21-11-5-9-19-21/h1-2,5,7-9,11,14,17,22H,3-4,6,10,12-13H2/t14-,17-/m0/s1
InChIKeyADMCBALGLVCVAN-YOEHRIQHSA-N
XLogP2.61
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 110892142
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CID 129426151
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(2S)-1-[benzyl(methyl)amino]-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426746
(2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 95610412
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol (CID 129448916) is (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol is O[C@@H](CN1CCCC[C@H]1Cn1cccn1)c1ccccc1F.
What is the InChIKey of (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol?
The InChIKey is ADMCBALGLVCVAN-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H22FN3O/c18-16-8-2-1-7-15(16)17(22)13-20-10-4-3-6-14(20)12-21-11-5-9-19-21/h1-2,5,7-9,11,14,17,22H,3-4,6,10,12-13H2/t14-,17-/m0/s1.
What are the key properties of (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol?
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol has a molecular weight of 303.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 129448916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).