(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone

C18H20N2O — CID 4069484

IUPAC(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
SMILESCN1CCN(C(=O)c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C18H20N2O/c1-19-12-13-20(18(21)16-10-6-3-7-11-16)17(14-19)15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3
InChIKeyHTAYPYIYOLQCPR-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.82
Rot. Bonds2

About (4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone

(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone (PubChem CID 4069484) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
PubChem CID4069484
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
SMILESCN1CCN(C(=O)c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C18H20N2O/c1-19-12-13-20(18(21)16-10-6-3-7-11-16)17(14-19)15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3
InChIKeyHTAYPYIYOLQCPR-UHFFFAOYSA-N
XLogP2.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea
CID 37333541
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 154887707
1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one
CID 155962442
2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one
CID 134042687
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
(2-anilinopyrimidin-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 97156878
(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871
(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone?
The IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone (CID 4069484) is (4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone.
What is the SMILES notation for (4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone?
The canonical SMILES for (4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone is CN1CCN(C(=O)c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of (4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone?
The InChIKey is HTAYPYIYOLQCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-19-12-13-20(18(21)16-10-6-3-7-11-16)17(14-19)15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3.
What are the key properties of (4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone?
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone has a molecular weight of 280.37 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone is sourced from PubChem (CID 4069484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).