(2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone

C19H20F2N2O2 — CID 95601930

IUPAC(2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1F)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H20F2N2O2/c20-16-8-4-7-15(18(16)21)19(25)23-11-9-22(10-12-23)13-17(24)14-5-2-1-3-6-14/h1-8,17,24H,9-13H2/t17-/m0/s1
InChIKeyRCOQYFYXNZRHEL-KRWDZBQOSA-N
MW346.38 g/mol
LogP2.46
Rot. Bonds4

About (2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone

(2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone (PubChem CID 95601930) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is (2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
PubChem CID95601930
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name(2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1F)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H20F2N2O2/c20-16-8-4-7-15(18(16)21)19(25)23-11-9-22(10-12-23)13-17(24)14-5-2-1-3-6-14/h1-8,17,24H,9-13H2/t17-/m0/s1
InChIKeyRCOQYFYXNZRHEL-KRWDZBQOSA-N
XLogP2.46
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[(1S)-2-[4-(2,3-difluorobenzoyl)piperazin-1-yl]-1-phenylethyl] 2,3-difluorobenzoate
CID 95351967
(2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95604299
[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750499
[4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 51727600
(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95315165
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone
CID 119880014
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
2,2-diphenyl-1-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]ethanone
CID 108533885
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95351959
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95319016

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
The IUPAC name of (2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone (CID 95601930) is (2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone is O=C(c1cccc(F)c1F)N1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of (2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
The InChIKey is RCOQYFYXNZRHEL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-16-8-4-7-15(18(16)21)19(25)23-11-9-22(10-12-23)13-17(24)14-5-2-1-3-6-14/h1-8,17,24H,9-13H2/t17-/m0/s1.
What are the key properties of (2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
(2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone has a molecular weight of 346.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95601930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).