4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide

C20H26N4 — CID 71588392

IUPAC4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\N)c1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N4/c1-16(2)22-20(21)17-8-10-19(11-9-17)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H2,21,22)
InChIKeyRNGAJDILQHHKCQ-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.13
Rot. Bonds4

About 4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide

4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide (PubChem CID 71588392) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide
PubChem CID71588392
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(\N)c1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N4/c1-16(2)22-20(21)17-8-10-19(11-9-17)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H2,21,22)
InChIKeyRNGAJDILQHHKCQ-UHFFFAOYSA-N
XLogP3.13
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 16103
CID 16103
CID 80679
CID 80679
CID 10247719
CID 10247719
CID 130786
CID 130786
CID 44573482
CID 44573482
CID 90664399
CID 90664399
CID 456157
CID 456157
CID 480183
CID 480183
CID 480185
CID 480185
CID 480186
CID 480186
CID 915196
CID 915196
CID 3013108
CID 3013108

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide (CID 71588392) is 4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide is CC(C)/N=C(\N)c1ccc(N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide?
The InChIKey is RNGAJDILQHHKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-16(2)22-20(21)17-8-10-19(11-9-17)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H2,21,22).
What are the key properties of 4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide?
4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide has a molecular weight of 322.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)-N'-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 71588392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).