(2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid

C20H24N4O2 — CID 139674778

IUPAC(2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid
SMILESCc1ccc(N2CCN(C)CC2/N=C(\N)C(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C20H24N4O2/c1-14-8-9-17(16(12-14)15-6-4-3-5-7-15)24-11-10-23(2)13-18(24)22-19(21)20(25)26/h3-9,12,18H,10-11,13H2,1-2H3,(H2,21,22)(H,25,26)
InChIKeyFPZDOPXSLFWDAB-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.18
Rot. Bonds3

About (2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid

(2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid (PubChem CID 139674778) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid
PubChem CID139674778
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid
SMILESCc1ccc(N2CCN(C)CC2/N=C(\N)C(=O)O)c(-c2ccccc2)c1
InChIInChI=1S/C20H24N4O2/c1-14-8-9-17(16(12-14)15-6-4-3-5-7-15)24-11-10-23(2)13-18(24)22-19(21)20(25)26/h3-9,12,18H,10-11,13H2,1-2H3,(H2,21,22)(H,25,26)
InChIKeyFPZDOPXSLFWDAB-UHFFFAOYSA-N
XLogP2.18
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-amino-2-[4-methylsulfonyl-1-(2-phenylphenyl)piperazin-2-yl]iminoacetic acid
CID 139674760
(2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid
CID 139674777
1-(4-methyl-2-phenylphenyl)piperidine
CID 57106520
(4-methyl-2-phenylphenyl) carbamate
CID 68986573
5,7,10-trimethyl-2,3-diphenylphenazine
CID 18761853
5,18-dimethyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-ol
CID 20536376
10-(4-methyl-2-phenylphenyl)phenothiazine 5,5-dioxide
CID 59573421
(4-methyl-2-phenylphenyl) hydrogen carbonate
CID 22141660
10-(4-methyl-2-phenylphenyl)phenoselenazine
CID 59572997
1-(2-fluoro-4-methylphenyl)-2,4-dimethylpiperazine
CID 177274253
[4-methyl-1-(5-methyl-2-nitrophenyl)piperazin-2-yl]methanamine
CID 80506472
3-amino-1,7-dimethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 142254857

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid?
The IUPAC name of (2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid (CID 139674778) is (2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid.
What is the SMILES notation for (2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid?
The canonical SMILES for (2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid is Cc1ccc(N2CCN(C)CC2/N=C(\N)C(=O)O)c(-c2ccccc2)c1.
What is the InChIKey of (2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid?
The InChIKey is FPZDOPXSLFWDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-8-9-17(16(12-14)15-6-4-3-5-7-15)24-11-10-23(2)13-18(24)22-19(21)20(25)26/h3-9,12,18H,10-11,13H2,1-2H3,(H2,21,22)(H,25,26).
What are the key properties of (2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid?
(2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid has a molecular weight of 352.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-amino-2-[4-methyl-1-(4-methyl-2-phenylphenyl)piperazin-2-yl]iminoacetic acid is sourced from PubChem (CID 139674778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).