(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide

C19H23N5 — CID 23459648

IUPAC(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide
SMILESCN1CCN(C(=N/c2ccccc2)/N=C(/N)c2ccccc2)CC1
InChIInChI=1S/C19H23N5/c1-23-12-14-24(15-13-23)19(21-17-10-6-3-7-11-17)22-18(20)16-8-4-2-5-9-16/h2-11H,12-15H2,1H3,(H2,20,21,22)
InChIKeyWMQJMUTZLAKQAM-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.33
Rot. Bonds2

About (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide

(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide (PubChem CID 23459648) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide
PubChem CID23459648
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide
SMILESCN1CCN(C(=N/c2ccccc2)/N=C(/N)c2ccccc2)CC1
InChIInChI=1S/C19H23N5/c1-23-12-14-24(15-13-23)19(21-17-10-6-3-7-11-17)22-18(20)16-8-4-2-5-9-16/h2-11H,12-15H2,1H3,(H2,20,21,22)
InChIKeyWMQJMUTZLAKQAM-UHFFFAOYSA-N
XLogP2.33
TPSA57.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide?
The IUPAC name of (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide (CID 23459648) is (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide.
What is the SMILES notation for (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide?
The canonical SMILES for (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide is CN1CCN(C(=N/c2ccccc2)/N=C(/N)c2ccccc2)CC1.
What is the InChIKey of (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide?
The InChIKey is WMQJMUTZLAKQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-23-12-14-24(15-13-23)19(21-17-10-6-3-7-11-17)22-18(20)16-8-4-2-5-9-16/h2-11H,12-15H2,1H3,(H2,20,21,22).
What are the key properties of (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide?
(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide has a molecular weight of 321.43 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide is sourced from PubChem (CID 23459648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).