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

C19H22ClN5O — CID 10044763

IUPAC1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole
SMILESClc1ccccc1N1CCN(CCCOn2nnc3ccccc32)CC1
InChIInChI=1S/C19H22ClN5O/c20-16-6-1-3-8-18(16)24-13-11-23(12-14-24)10-5-15-26-25-19-9-4-2-7-17(19)21-22-25/h1-4,6-9H,5,10-15H2
InChIKeyCCWMRNXDDONPRR-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.73
Rot. Bonds6

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

1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole (PubChem CID 10044763) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole.

Molecular Properties

Compound Name1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole
PubChem CID10044763
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole
SMILESClc1ccccc1N1CCN(CCCOn2nnc3ccccc32)CC1
InChIInChI=1S/C19H22ClN5O/c20-16-6-1-3-8-18(16)24-13-11-23(12-14-24)10-5-15-26-25-19-9-4-2-7-17(19)21-22-25/h1-4,6-9H,5,10-15H2
InChIKeyCCWMRNXDDONPRR-UHFFFAOYSA-N
XLogP2.73
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]-3-methylquinoxaline
CID 139623945
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3-methylquinoxalin-2-one
CID 139617049
4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one
CID 23369424
1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine
CID 61396678
4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
CID 63571743
3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072327
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-2,3-dihydroindole;oxalic acid
CID 162324636
3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide
CID 43118133
4-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethoxy]aniline;dihydrochloride
CID 10222918
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
CID 24839637
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole?
The IUPAC name of 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole (CID 10044763) is 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole.
What is the SMILES notation for 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole?
The canonical SMILES for 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole is Clc1ccccc1N1CCN(CCCOn2nnc3ccccc32)CC1.
What is the InChIKey of 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole?
The InChIKey is CCWMRNXDDONPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c20-16-6-1-3-8-18(16)24-13-11-23(12-14-24)10-5-15-26-25-19-9-4-2-7-17(19)21-22-25/h1-4,6-9H,5,10-15H2.
What are the key properties of 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole?
1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole has a molecular weight of 371.87 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-chlorophenyl)piperazin-1-yl]propoxy]benzotriazole is sourced from PubChem (CID 10044763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).