3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide

C13H19ClN4 — CID 43118133

IUPAC3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H19ClN4/c14-11-3-1-2-4-12(11)18-9-7-17(8-10-18)6-5-13(15)16/h1-4H,5-10H2,(H3,15,16)
InChIKeyNYJFEWCTFBTQQF-UHFFFAOYSA-N
MW266.78 g/mol
LogP1.79
Rot. Bonds4

About 3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide

3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide (PubChem CID 43118133) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide
PubChem CID43118133
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H19ClN4/c14-11-3-1-2-4-12(11)18-9-7-17(8-10-18)6-5-13(15)16/h1-4H,5-10H2,(H3,15,16)
InChIKeyNYJFEWCTFBTQQF-UHFFFAOYSA-N
XLogP1.79
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 51.79
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'}

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Related Compounds

3-(4-benzylpiperazin-1-yl)propanimidamide
CID 24689819
3-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propanimidamide
CID 83967856
2-[4-(2-chlorophenyl)piperazin-1-yl]ethanethioamide
CID 43118126
2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 62502940
4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
CID 63571743
3-(4-methylpiperazin-1-yl)propanimidamide
CID 24709973
2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 43085181
4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
2-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide
CID 43592118
3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 22029324
2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide
CID 119902706

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide?
The IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide (CID 43118133) is 3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for 3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for 3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide is [H]/N=C(\N)CCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide?
The InChIKey is NYJFEWCTFBTQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c14-11-3-1-2-4-12(11)18-9-7-17(8-10-18)6-5-13(15)16/h1-4H,5-10H2,(H3,15,16).
What are the key properties of 3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide?
3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide has a molecular weight of 266.78 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 43118133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).