1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride

C20H23Cl2N5 — CID 142709680

IUPAC1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
SMILESCl.Clc1cccc(N2CCN(CCn3cc(-c4ccccc4)nn3)CC2)c1
InChIInChI=1S/C20H22ClN5.ClH/c21-18-7-4-8-19(15-18)25-12-9-24(10-13-25)11-14-26-16-20(22-23-26)17-5-2-1-3-6-17;/h1-8,15-16H,9-14H2;1H
InChIKeyBRKATEDSRKFOBR-UHFFFAOYSA-N
MW404.35 g/mol
LogP3.84
Rot. Bonds5

About 1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride

1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride (PubChem CID 142709680) has the molecular formula C20H23Cl2N5 and a molecular weight of 404.35 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
PubChem CID142709680
Molecular FormulaC20H23Cl2N5
Molecular Weight404.35 g/mol
Exact Mass403.13
IUPAC Name1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
SMILESCl.Clc1cccc(N2CCN(CCn3cc(-c4ccccc4)nn3)CC2)c1
InChIInChI=1S/C20H22ClN5.ClH/c21-18-7-4-8-19(15-18)25-12-9-24(10-13-25)11-14-26-16-20(22-23-26)17-5-2-1-3-6-17;/h1-8,15-16H,9-14H2;1H
InChIKeyBRKATEDSRKFOBR-UHFFFAOYSA-N
XLogP3.84
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
CID 142709660
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-methyl-6-phenylpyridazin-3-one
CID 70275794
(4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride
CID 142648065
2-(3-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 22432336
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 51108336
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-phenylpyridin-2-amine
CID 11633155
3-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]triazol-4-yl]benzonitrile
CID 72837413
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-phenylimidazol-1-yl)propan-1-one
CID 44594642
3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile
CID 12726738
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl-methanidylazanium
CID 20756629
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-phenylguanidine
CID 111108252
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155565209

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride (CID 142709680) is 1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride is Cl.Clc1cccc(N2CCN(CCn3cc(-c4ccccc4)nn3)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride?
The InChIKey is BRKATEDSRKFOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5.ClH/c21-18-7-4-8-19(15-18)25-12-9-24(10-13-25)11-14-26-16-20(22-23-26)17-5-2-1-3-6-17;/h1-8,15-16H,9-14H2;1H.
What are the key properties of 1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride?
1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride has a molecular weight of 404.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 142709680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).