(Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine

C17H26ClN5 — CID 143957577

IUPAC(Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine
SMILESCC/C(C)=C(NN)/C(=N/c1ccc(Cl)cc1C)N1CCNCC1
InChIInChI=1S/C17H26ClN5/c1-4-12(2)16(22-19)17(23-9-7-20-8-10-23)21-15-6-5-14(18)11-13(15)3/h5-6,11,20,22H,4,7-10,19H2,1-3H3/b16-12-,21-17-
InChIKeyRQOMUOXZLRVCLS-YXRRRITLSA-N
MW335.88 g/mol
LogP2.73
Rot. Bonds4

About (Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine

(Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine (PubChem CID 143957577) has the molecular formula C17H26ClN5 and a molecular weight of 335.88 g/mol. Its IUPAC name is (Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine
PubChem CID143957577
Molecular FormulaC17H26ClN5
Molecular Weight335.88 g/mol
Exact Mass335.19
IUPAC Name(Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine
SMILESCC/C(C)=C(NN)/C(=N/c1ccc(Cl)cc1C)N1CCNCC1
InChIInChI=1S/C17H26ClN5/c1-4-12(2)16(22-19)17(23-9-7-20-8-10-23)21-15-6-5-14(18)11-13(15)3/h5-6,11,20,22H,4,7-10,19H2,1-3H3/b16-12-,21-17-
InChIKeyRQOMUOXZLRVCLS-YXRRRITLSA-N
XLogP2.73
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine with MolForge

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Related Compounds

N-(4-chloro-2-methylphenyl)butan-2-imine
CID 138749574
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
methyl N-(4-chloro-2-methylphenyl)ethanimidothioate
CID 163694304
(4-chloro-2-methylphenyl) piperazine-1-carboxylate
CID 82298956
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 55085396
(4-chloro-2-fluorophenyl)methyl piperazine-1-carboxylate
CID 66720606
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
(2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride
CID 69143909
1-[(1S)-1-(4-chloro-2-methylphenyl)-3-methylbutyl]piperazine
CID 171281403
N'-(4-chloro-2-methylphenyl)cyclohexanecarboximidamide
CID 114256582

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine?
The IUPAC name of (Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine (CID 143957577) is (Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine.
What is the SMILES notation for (Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine?
The canonical SMILES for (Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine is CC/C(C)=C(NN)/C(=N/c1ccc(Cl)cc1C)N1CCNCC1.
What is the InChIKey of (Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine?
The InChIKey is RQOMUOXZLRVCLS-YXRRRITLSA-N. The full InChI is InChI=1S/C17H26ClN5/c1-4-12(2)16(22-19)17(23-9-7-20-8-10-23)21-15-6-5-14(18)11-13(15)3/h5-6,11,20,22H,4,7-10,19H2,1-3H3/b16-12-,21-17-.
What are the key properties of (Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine?
(Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine has a molecular weight of 335.88 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-chloro-2-methylphenyl)-2-hydrazinyl-3-methyl-1-piperazin-1-ylpent-2-en-1-imine is sourced from PubChem (CID 143957577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).