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

C20H23ClFN5 — CID 142709660

IUPAC1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(N2CCN(CCn3cc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C20H22FN5.ClH/c21-18-6-8-19(9-7-18)25-13-10-24(11-14-25)12-15-26-16-20(22-23-26)17-4-2-1-3-5-17;/h1-9,16H,10-15H2;1H
InChIKeyPTECKJGRCJBHRJ-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.33
Rot. Bonds5

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

1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride (PubChem CID 142709660) has the molecular formula C20H23ClFN5 and a molecular weight of 387.89 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
PubChem CID142709660
Molecular FormulaC20H23ClFN5
Molecular Weight387.89 g/mol
Exact Mass387.16
IUPAC Name1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(N2CCN(CCn3cc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C20H22FN5.ClH/c21-18-6-8-19(9-7-18)25-13-10-24(11-14-25)12-15-26-16-20(22-23-26)17-4-2-1-3-5-17;/h1-9,16H,10-15H2;1H
InChIKeyPTECKJGRCJBHRJ-UHFFFAOYSA-N
XLogP3.33
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
CID 142709680
1-(4-fluorophenyl)-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
CID 142709666
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride
CID 142648014
(4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride
CID 142648065
1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 51108536
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyrazol-3-amine
CID 63318148
1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine
CID 154541150
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837
3-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]triazol-4-yl]benzonitrile
CID 72837413
1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine
CID 15575683
trifluoro-[(4-phenyltriazol-1-yl)methyl]boranuide
CID 102386878

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride (CID 142709660) is 1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride is Cl.Fc1ccc(N2CCN(CCn3cc(-c4ccccc4)nn3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride?
The InChIKey is PTECKJGRCJBHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5.ClH/c21-18-6-8-19(9-7-18)25-13-10-24(11-14-25)12-15-26-16-20(22-23-26)17-4-2-1-3-5-17;/h1-9,16H,10-15H2;1H.
What are the key properties of 1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride?
1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride has a molecular weight of 387.89 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 142709660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).