1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine

C13H18ClN5 — CID 61396678

IUPAC1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine
SMILES[N-]=[N+]=NCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN5/c14-12-4-1-2-5-13(12)19-10-8-18(9-11-19)7-3-6-16-17-15/h1-2,4-5H,3,6-11H2
InChIKeyNUNUQWSMRRGKKK-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.16
Rot. Bonds5

About 1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine

1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine (PubChem CID 61396678) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine
PubChem CID61396678
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine
SMILES[N-]=[N+]=NCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN5/c14-12-4-1-2-5-13(12)19-10-8-18(9-11-19)7-3-6-16-17-15/h1-2,4-5H,3,6-11H2
InChIKeyNUNUQWSMRRGKKK-UHFFFAOYSA-N
XLogP3.16
TPSA55.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
CID 63571743
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
CID 24839637
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-propylguanidine
CID 111082413
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
5-[4-(2-chlorophenyl)piperazin-1-yl]-2,2-diphenylpentanenitrile
CID 102175155
2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide
CID 119902706
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-2,3-dihydroindole;oxalic acid
CID 162324636
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111082428
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]aniline;dihydrochloride
CID 10222918
3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide
CID 43118133

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine?
The IUPAC name of 1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine (CID 61396678) is 1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine.
What is the SMILES notation for 1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine?
The canonical SMILES for 1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine is [N-]=[N+]=NCCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine?
The InChIKey is NUNUQWSMRRGKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c14-12-4-1-2-5-13(12)19-10-8-18(9-11-19)7-3-6-16-17-15/h1-2,4-5H,3,6-11H2.
What are the key properties of 1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine?
1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine has a molecular weight of 279.77 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine is sourced from PubChem (CID 61396678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).