[4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

C19H17F2N3O2S — CID 51036327

IUPAC[4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H17F2N3O2S/c20-14-1-2-15(16(21)8-14)19(26)3-5-24(6-4-19)18(25)12-7-17(27-11-12)13-9-22-23-10-13/h1-2,7-11,26H,3-6H2,(H,22,23)
InChIKeyBVLXJHUZHGLVOJ-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.54
Rot. Bonds3

About [4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

[4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (PubChem CID 51036327) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
PubChem CID51036327
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name[4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H17F2N3O2S/c20-14-1-2-15(16(21)8-14)19(26)3-5-24(6-4-19)18(25)12-7-17(27-11-12)13-9-22-23-10-13/h1-2,7-11,26H,3-6H2,(H,22,23)
InChIKeyBVLXJHUZHGLVOJ-UHFFFAOYSA-N
XLogP3.54
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The IUPAC name of [4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (CID 51036327) is [4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.
What is the SMILES notation for [4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The canonical SMILES for [4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(O)(c2ccc(F)cc2F)CC1.
What is the InChIKey of [4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The InChIKey is BVLXJHUZHGLVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c20-14-1-2-15(16(21)8-14)19(26)3-5-24(6-4-19)18(25)12-7-17(27-11-12)13-9-22-23-10-13/h1-2,7-11,26H,3-6H2,(H,22,23).
What are the key properties of [4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
[4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone has a molecular weight of 389.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)-4-hydroxypiperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is sourced from PubChem (CID 51036327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).