N'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide

C19H23ClN4 — CID 21312360

IUPACN'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(N)=N/C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN4/c1-23-11-13-24(14-12-23)19(21)22-18(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-10,18H,11-14H2,1H3,(H2,21,22)
InChIKeyXZHPBVUOSYNZHE-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.99
Rot. Bonds3

About N'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide

N'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide (PubChem CID 21312360) has the molecular formula C19H23ClN4 and a molecular weight of 342.87 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide
PubChem CID21312360
Molecular FormulaC19H23ClN4
Molecular Weight342.87 g/mol
Exact Mass342.16
IUPAC NameN'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(N)=N/C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN4/c1-23-11-13-24(14-12-23)19(21)22-18(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-10,18H,11-14H2,1H3,(H2,21,22)
InChIKeyXZHPBVUOSYNZHE-UHFFFAOYSA-N
XLogP2.99
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.99
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'}

Analyze N'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide (CID 21312360) is N'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide is CN1CCN(/C(N)=N/C(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide?
The InChIKey is XZHPBVUOSYNZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4/c1-23-11-13-24(14-12-23)19(21)22-18(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-10,18H,11-14H2,1H3,(H2,21,22).
What are the key properties of N'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide?
N'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide has a molecular weight of 342.87 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 21312360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).