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

C16H19F2N3O — CID 95142745

IUPAC(1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
SMILESO[C@@H](CN1CCC(c2ccn[nH]2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C16H19F2N3O/c17-12-1-2-13(14(18)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)/t16-/m0/s1
InChIKeyFJGUDMJXRYMJSH-INIZCTEOSA-N
MW307.34 g/mol
LogP2.60
Rot. Bonds4

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

(1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol (PubChem CID 95142745) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is (1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
PubChem CID95142745
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name(1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
SMILESO[C@@H](CN1CCC(c2ccn[nH]2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C16H19F2N3O/c17-12-1-2-13(14(18)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)/t16-/m0/s1
InChIKeyFJGUDMJXRYMJSH-INIZCTEOSA-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

1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]ethanol
CID 86773453
1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898547
1-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 110903106
1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111122492
1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol
CID 111916571
1-[1-[3-(3,5-difluorophenyl)propyl]piperidin-4-yl]-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol
CID 69453572
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CID 166370843
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
CID 94806087
1-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-methoxyethanone
CID 110898010
2-[4-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 94407139
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol
CID 110898680
methyl 2-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]acetate
CID 111916316

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol (CID 95142745) is (1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol is O[C@@H](CN1CCC(c2ccn[nH]2)CC1)c1ccc(F)cc1F.
What is the InChIKey of (1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The InChIKey is FJGUDMJXRYMJSH-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19F2N3O/c17-12-1-2-13(14(18)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)/t16-/m0/s1.
What are the key properties of (1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
(1R)-1-(2,4-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 (1R)-1-(2,4-difluorophenyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 95142745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).