(1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol

C17H21F2N3O — CID 124841986

IUPAC(1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol
SMILESC[C@@H](O)C1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)CC1
InChIInChI=1S/C17H21F2N3O/c1-12(23)13-4-7-21(8-5-13)11-15-6-9-22(20-15)17-3-2-14(18)10-16(17)19/h2-3,6,9-10,12-13,23H,4-5,7-8,11H2,1H3/t12-/m1/s1
InChIKeyBJRLAAVCHPBCHS-GFCCVEGCSA-N
MW321.37 g/mol
LogP2.74
Rot. Bonds4

About (1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol

(1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol (PubChem CID 124841986) has the molecular formula C17H21F2N3O and a molecular weight of 321.37 g/mol. Its IUPAC name is (1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol
PubChem CID124841986
Molecular FormulaC17H21F2N3O
Molecular Weight321.37 g/mol
Exact Mass321.17
IUPAC Name(1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol
SMILESC[C@@H](O)C1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)CC1
InChIInChI=1S/C17H21F2N3O/c1-12(23)13-4-7-21(8-5-13)11-15-6-9-22(20-15)17-3-2-14(18)10-16(17)19/h2-3,6,9-10,12-13,23H,4-5,7-8,11H2,1H3/t12-/m1/s1
InChIKeyBJRLAAVCHPBCHS-GFCCVEGCSA-N
XLogP2.74
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of (1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol (CID 124841986) is (1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for (1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol is C[C@@H](O)C1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)CC1.
What is the InChIKey of (1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol?
The InChIKey is BJRLAAVCHPBCHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21F2N3O/c1-12(23)13-4-7-21(8-5-13)11-15-6-9-22(20-15)17-3-2-14(18)10-16(17)19/h2-3,6,9-10,12-13,23H,4-5,7-8,11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol?
(1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol has a molecular weight of 321.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 124841986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).