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

C19H24ClN5 — CID 23459647

IUPAC(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride
SMILESCN1CCN(C(=N/c2ccccc2)/N=C(/N)c2ccccc2)CC1.Cl
InChIInChI=1S/C19H23N5.ClH/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);1H
InChIKeyRILJIYGCMZFNSM-UHFFFAOYSA-N
MW357.89 g/mol
LogP2.75
Rot. Bonds2

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

(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride (PubChem CID 23459647) has the molecular formula C19H24ClN5 and a molecular weight of 357.89 g/mol. Its IUPAC name is (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound Name(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride
PubChem CID23459647
Molecular FormulaC19H24ClN5
Molecular Weight357.89 g/mol
Exact Mass357.17
IUPAC Name(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride
SMILESCN1CCN(C(=N/c2ccccc2)/N=C(/N)c2ccccc2)CC1.Cl
InChIInChI=1S/C19H23N5.ClH/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);1H
InChIKeyRILJIYGCMZFNSM-UHFFFAOYSA-N
XLogP2.75
TPSA57.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 52.75
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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Related Compounds

(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide
CID 23459648
(NZ)-N-[amino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
CID 23459662
(NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride
CID 23459671
N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide
CID 70567672
N'-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 83024710
N'-aminobenzenecarboximidamide
CID 5474957
2-[3-(4-methylpiperazine-1-carbonyl)phenyl]guanidine;hydrochloride
CID 67444929
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 70532858
N-[anilino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
CID 54284526
N'-phenyl-4-propylpiperazine-1-carboximidamide
CID 62363809
benzoic acid;1,4-dimethylpiperazine
CID 166460840

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride?
The IUPAC name of (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride (CID 23459647) is (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride.
What is the SMILES notation for (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride?
The canonical SMILES for (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride is CN1CCN(C(=N/c2ccccc2)/N=C(/N)c2ccccc2)CC1.Cl.
What is the InChIKey of (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride?
The InChIKey is RILJIYGCMZFNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5.ClH/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);1H.
What are the key properties of (NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride?
(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 2.75, 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;hydrochloride is sourced from PubChem (CID 23459647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).