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

C14H19ClFN5 — CID 142648014

IUPAC1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(N2CCN(CCn3ccnn3)CC2)cc1
InChIInChI=1S/C14H18FN5.ClH/c15-13-1-3-14(4-2-13)19-10-7-18(8-11-19)9-12-20-6-5-16-17-20;/h1-6H,7-12H2;1H
InChIKeyQHQJCQZEDUYFDZ-UHFFFAOYSA-N
MW311.79 g/mol
LogP1.66
Rot. Bonds4

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

1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride (PubChem CID 142648014) has the molecular formula C14H19ClFN5 and a molecular weight of 311.79 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride
PubChem CID142648014
Molecular FormulaC14H19ClFN5
Molecular Weight311.79 g/mol
Exact Mass311.13
IUPAC Name1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(N2CCN(CCn3ccnn3)CC2)cc1
InChIInChI=1S/C14H18FN5.ClH/c15-13-1-3-14(4-2-13)19-10-7-18(8-11-19)9-12-20-6-5-16-17-20;/h1-6H,7-12H2;1H
InChIKeyQHQJCQZEDUYFDZ-UHFFFAOYSA-N
XLogP1.66
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]pyrazol-3-amine
CID 63318148
1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 51108536
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837
1-(4-fluorophenyl)-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine
CID 154541150
1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
CID 142709660
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
1-(4-fluorophenyl)-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
CID 142709666
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol
CID 54223521
2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine
CID 166601016
1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 174368347
1-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 87015648
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 3074813

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride (CID 142648014) is 1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride is Cl.Fc1ccc(N2CCN(CCn3ccnn3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride?
The InChIKey is QHQJCQZEDUYFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5.ClH/c15-13-1-3-14(4-2-13)19-10-7-18(8-11-19)9-12-20-6-5-16-17-20;/h1-6H,7-12H2;1H.
What are the key properties of 1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride?
1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride has a molecular weight of 311.79 g/mol, XLogP of 1.66, 4 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-(triazol-1-yl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 142648014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).