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

C19H20F2N2O2 — CID 95604299

IUPAC(2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H20F2N2O2/c20-15-6-7-16(17(21)12-15)19(25)23-10-8-22(9-11-23)13-18(24)14-4-2-1-3-5-14/h1-7,12,18,24H,8-11,13H2/t18-/m0/s1
InChIKeyBREMHGGTTDMDBC-SFHVURJKSA-N
MW346.38 g/mol
LogP2.46
Rot. Bonds4

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

(2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone (PubChem CID 95604299) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
PubChem CID95604299
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name(2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H20F2N2O2/c20-15-6-7-16(17(21)12-15)19(25)23-10-8-22(9-11-23)13-18(24)14-4-2-1-3-5-14/h1-7,12,18,24H,8-11,13H2/t18-/m0/s1
InChIKeyBREMHGGTTDMDBC-SFHVURJKSA-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

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Related Compounds

(2,3-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95601930
[4-[(2S)-3-cyclopentyl-2-hydroxypropyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 124847688
(2,4-difluorophenyl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95328976
[4-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 97044997
[4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 51727600
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866857
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110804269
[4-[2-(4-chlorophenyl)-2-[(2,6-difluorophenyl)methoxy]ethyl]piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 46092245
(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-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750499

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone (CID 95604299) is (2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone is O=C(c1ccc(F)cc1F)N1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of (2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
The InChIKey is BREMHGGTTDMDBC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-15-6-7-16(17(21)12-15)19(25)23-10-8-22(9-11-23)13-18(24)14-4-2-1-3-5-14/h1-7,12,18,24H,8-11,13H2/t18-/m0/s1.
What are the key properties of (2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
(2,4-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 (2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95604299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).