4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide

C14H21ClN4 — CID 62361052

IUPAC4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H21ClN4/c1-2-7-17-14(16)19-10-8-18(9-11-19)13-6-4-3-5-12(13)15/h3-6H,2,7-11H2,1H3,(H2,16,17)
InChIKeyQOXVBVUENVMSKG-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.19
Rot. Bonds3

About 4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide

4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide (PubChem CID 62361052) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide
PubChem CID62361052
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC Name4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H21ClN4/c1-2-7-17-14(16)19-10-8-18(9-11-19)13-6-4-3-5-12(13)15/h3-6H,2,7-11H2,1H3,(H2,16,17)
InChIKeyQOXVBVUENVMSKG-UHFFFAOYSA-N
XLogP2.19
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.19
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 4-(2-chlorophenyl)-N'-propylpiperazine-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

Related Compounds

4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
CID 111082413
N'-propylazocane-1-carboximidamide
CID 62361040
1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine
CID 142506773
N'-ethyl-4-phenylpiperazine-1-carboximidamide
CID 55064093
N'-propyl-2,3-dihydroindole-1-carboximidamide
CID 62360656
N'-[2-(2-chlorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920368
2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one
CID 60853847
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 78782075
(2S)-2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119827734
4-(2-chlorophenyl)-N-ethyl-N'-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 111983859
N-butyl-4-(2-chlorophenyl)piperazine-1-carboxamide
CID 3398224

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide?
The IUPAC name of 4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide (CID 62361052) is 4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide?
The canonical SMILES for 4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide is CCC/N=C(\N)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide?
The InChIKey is QOXVBVUENVMSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-2-7-17-14(16)19-10-8-18(9-11-19)13-6-4-3-5-12(13)15/h3-6H,2,7-11H2,1H3,(H2,16,17).
What are the key properties of 4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide?
4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide has a molecular weight of 280.80 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N'-propylpiperazine-1-carboximidamide is sourced from PubChem (CID 62361052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).