(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

C18H19FN2O — CID 37332392

IUPAC(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H19FN2O/c1-20-11-12-21(17(13-20)14-5-3-2-4-6-14)18(22)15-7-9-16(19)10-8-15/h2-10,17H,11-13H2,1H3/t17-/m1/s1
InChIKeyAZNXCGLJTMCYSZ-QGZVFWFLSA-N
MW298.36 g/mol
LogP2.95
Rot. Bonds2

About (4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (PubChem CID 37332392) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is (4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
PubChem CID37332392
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCN1CCN(C(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H19FN2O/c1-20-11-12-21(17(13-20)14-5-3-2-4-6-14)18(22)15-7-9-16(19)10-8-15/h2-10,17H,11-13H2,1H3/t17-/m1/s1
InChIKeyAZNXCGLJTMCYSZ-QGZVFWFLSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
[5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42919519
[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea
CID 37333541
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 154887707
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one
CID 134042687
1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one
CID 155962442
2-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 134583974
(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]ethanone
CID 124810619

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (CID 37332392) is (4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is CN1CCN(C(=O)c2ccc(F)cc2)[C@@H](c2ccccc2)C1.
What is the InChIKey of (4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The InChIKey is AZNXCGLJTMCYSZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-20-11-12-21(17(13-20)14-5-3-2-4-6-14)18(22)15-7-9-16(19)10-8-15/h2-10,17H,11-13H2,1H3/t17-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone has a molecular weight of 298.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 37332392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).