(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone

C18H20N2O — CID 69401759

IUPAC(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
SMILESCC1CNCCN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20N2O/c1-14-13-19-11-12-20(14)18(21)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,19H,11-13H2,1H3
InChIKeyIQOAXPHLAHQTIB-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.79
Rot. Bonds2

About (2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone

(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone (PubChem CID 69401759) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
PubChem CID69401759
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
SMILESCC1CNCCN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20N2O/c1-14-13-19-11-12-20(14)18(21)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,19H,11-13H2,1H3
InChIKeyIQOAXPHLAHQTIB-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119472210
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 50999638
(4-benzylsulfonylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119472214
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
(2-methylpiperazin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 119472810

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone?
The IUPAC name of (2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone (CID 69401759) is (2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone.
What is the SMILES notation for (2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone?
The canonical SMILES for (2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone is CC1CNCCN1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone?
The InChIKey is IQOAXPHLAHQTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-13-19-11-12-20(14)18(21)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,19H,11-13H2,1H3.
What are the key properties of (2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone?
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone has a molecular weight of 280.37 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone is sourced from PubChem (CID 69401759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).