(2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one

C18H19F4N3O2 — CID 118166858

IUPAC(2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
SMILESC[C@@](O)(C(=O)N1CCC(c2nccn2-c2ccc(F)cc2)CC1)C(F)(F)F
InChIInChI=1S/C18H19F4N3O2/c1-17(27,18(20,21)22)16(26)24-9-6-12(7-10-24)15-23-8-11-25(15)14-4-2-13(19)3-5-14/h2-5,8,11-12,27H,6-7,9-10H2,1H3/t17-/m1/s1
InChIKeyNKOSYQDMTDTLQJ-QGZVFWFLSA-N
MW385.36 g/mol
LogP3.03
Rot. Bonds3

About (2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one

(2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one (PubChem CID 118166858) has the molecular formula C18H19F4N3O2 and a molecular weight of 385.36 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
PubChem CID118166858
Molecular FormulaC18H19F4N3O2
Molecular Weight385.36 g/mol
Exact Mass385.14
IUPAC Name(2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
SMILESC[C@@](O)(C(=O)N1CCC(c2nccn2-c2ccc(F)cc2)CC1)C(F)(F)F
InChIInChI=1S/C18H19F4N3O2/c1-17(27,18(20,21)22)16(26)24-9-6-12(7-10-24)15-23-8-11-25(15)14-4-2-13(19)3-5-14/h2-5,8,11-12,27H,6-7,9-10H2,1H3/t17-/m1/s1
InChIKeyNKOSYQDMTDTLQJ-QGZVFWFLSA-N
XLogP3.03
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one (CID 118166858) is (2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one is C[C@@](O)(C(=O)N1CCC(c2nccn2-c2ccc(F)cc2)CC1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
The InChIKey is NKOSYQDMTDTLQJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19F4N3O2/c1-17(27,18(20,21)22)16(26)24-9-6-12(7-10-24)15-23-8-11-25(15)14-4-2-13(19)3-5-14/h2-5,8,11-12,27H,6-7,9-10H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one?
(2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one has a molecular weight of 385.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 118166858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).