(R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C23H26FN3O — CID 28641905

IUPAC(R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@H](O)C1CCN(Cc2cccc(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C23H26FN3O/c1-26-13-10-25-23(26)22(28)18-8-11-27(12-9-18)16-17-4-2-5-19(14-17)20-6-3-7-21(24)15-20/h2-7,10,13-15,18,22,28H,8-9,11-12,16H2,1H3/t22-/m1/s1
InChIKeyNDDYQLLHERQXBV-JOCHJYFZSA-N
MW379.48 g/mol
LogP4.17
Rot. Bonds5

About (R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

(R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 28641905) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is (R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID28641905
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name(R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@H](O)C1CCN(Cc2cccc(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C23H26FN3O/c1-26-13-10-25-23(26)22(28)18-8-11-27(12-9-18)16-17-4-2-5-19(14-17)20-6-3-7-21(24)15-20/h2-7,10,13-15,18,22,28H,8-9,11-12,16H2,1H3/t22-/m1/s1
InChIKeyNDDYQLLHERQXBV-JOCHJYFZSA-N
XLogP4.17
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 28641905) is (R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1[C@H](O)C1CCN(Cc2cccc(-c3cccc(F)c3)c2)CC1.
What is the InChIKey of (R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is NDDYQLLHERQXBV-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-26-13-10-25-23(26)22(28)18-8-11-27(12-9-18)16-17-4-2-5-19(14-17)20-6-3-7-21(24)15-20/h2-7,10,13-15,18,22,28H,8-9,11-12,16H2,1H3/t22-/m1/s1.
What are the key properties of (R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
(R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 379.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 28641905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).