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

C14H18FN5 — CID 51108536

IUPAC1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
SMILESFc1ccc(N2CCN(CCn3cncn3)CC2)cc1
InChIInChI=1S/C14H18FN5/c15-13-1-3-14(4-2-13)19-8-5-18(6-9-19)7-10-20-12-16-11-17-20/h1-4,11-12H,5-10H2
InChIKeyFJVCRGLSUQAKMN-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.24
Rot. Bonds4

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

1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine (PubChem CID 51108536) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
PubChem CID51108536
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
SMILESFc1ccc(N2CCN(CCn3cncn3)CC2)cc1
InChIInChI=1S/C14H18FN5/c15-13-1-3-14(4-2-13)19-8-5-18(6-9-19)7-10-20-12-16-11-17-20/h1-4,11-12H,5-10H2
InChIKeyFJVCRGLSUQAKMN-UHFFFAOYSA-N
XLogP1.24
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.24
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-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine
CID 154541150
1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride
CID 142648014
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837
(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 95715235
3-[2-(4-fluorophenyl)ethyl]-1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
CID 56892042
1-[(4-methylsulfanylphenyl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 74235053
4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
CID 126895391
1-[2-(1,2,4-triazol-1-yl)ethyl]piperazine;dihydrochloride
CID 54594853
1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 71988927
2-(2,4-difluorophenyl)-1-[4-[4-(4-fluorophenyl)phenyl]-1,4-diazepan-1-yl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 156821603

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine (CID 51108536) is 1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine is Fc1ccc(N2CCN(CCn3cncn3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The InChIKey is FJVCRGLSUQAKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c15-13-1-3-14(4-2-13)19-8-5-18(6-9-19)7-10-20-12-16-11-17-20/h1-4,11-12H,5-10H2.
What are the key properties of 1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine has a molecular weight of 275.33 g/mol, XLogP of 1.24, 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-(1,2,4-triazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 51108536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).