2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide

C14H19ClN4 — CID 62947696

IUPAC2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(C3CC3)CC2)cc1Cl
InChIInChI=1S/C14H19ClN4/c15-13-9-11(3-4-12(13)14(16)17)19-7-5-18(6-8-19)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H3,16,17)
InChIKeyAKRAILGZDDGIDB-UHFFFAOYSA-N
MW278.79 g/mol
LogP1.91
Rot. Bonds3

About 2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide

2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 62947696) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
PubChem CID62947696
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCN(C3CC3)CC2)cc1Cl
InChIInChI=1S/C14H19ClN4/c15-13-9-11(3-4-12(13)14(16)17)19-7-5-18(6-8-19)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H3,16,17)
InChIKeyAKRAILGZDDGIDB-UHFFFAOYSA-N
XLogP1.91
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide 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

2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 107279188
2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 63170463
2-chloro-4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534098
4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide
CID 62947534
2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
CID 102958478
2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 55153583
4-bromo-2-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 114904485
2-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide
CID 81465237
2-chloro-4-(2-ethylazepan-1-yl)benzenecarboximidamide
CID 104690051
2-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 102933094
2-chloro-4-(2,5-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62948700
4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide
CID 62948544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide (CID 62947696) is 2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCN(C3CC3)CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is AKRAILGZDDGIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c15-13-9-11(3-4-12(13)14(16)17)19-7-5-18(6-8-19)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H3,16,17).
What are the key properties of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide?
2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide has a molecular weight of 278.79 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 62947696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).