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

C17H23F2N5 — CID 71988927

IUPAC1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
SMILESCCC(c1ccc(F)cc1F)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C17H23F2N5/c1-2-17(15-4-3-14(18)11-16(15)19)23-8-5-22(6-9-23)7-10-24-13-20-12-21-24/h3-4,11-13,17H,2,5-10H2,1H3
InChIKeyAKEHZHTZZWPFDL-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.33
Rot. Bonds6

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

1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine (PubChem CID 71988927) has the molecular formula C17H23F2N5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
PubChem CID71988927
Molecular FormulaC17H23F2N5
Molecular Weight335.40 g/mol
Exact Mass335.19
IUPAC Name1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
SMILESCCC(c1ccc(F)cc1F)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C17H23F2N5/c1-2-17(15-4-3-14(18)11-16(15)19)23-8-5-22(6-9-23)7-10-24-13-20-12-21-24/h3-4,11-13,17H,2,5-10H2,1H3
InChIKeyAKEHZHTZZWPFDL-UHFFFAOYSA-N
XLogP2.33
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982891
1-(4-fluorophenyl)-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 51108536
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16791134
4-[1-(2,4-difluorophenyl)propyl]-N'-methylpiperazine-1-carboximidamide
CID 75469826
1-[(2R,3S)-3-(2,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-methylidenepiperidine
CID 145344172
1-[2-(2,4-difluorophenyl)ethyl]-1,2,4-triazole
CID 70517867
1-[(4-methylsulfanylphenyl)methyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 74235053
3-amino-1-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119894411
(2R,3S)-3-(2,4-difluorophenyl)-2-methyl-4-(1,2,4-triazol-1-yl)butanenitrile
CID 102467920
6-chloro-3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]pyridazine-4-carboxamide
CID 133341088
[4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 124608051
2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 43364603

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine (CID 71988927) is 1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine is CCC(c1ccc(F)cc1F)N1CCN(CCn2cncn2)CC1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
The InChIKey is AKEHZHTZZWPFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N5/c1-2-17(15-4-3-14(18)11-16(15)19)23-8-5-22(6-9-23)7-10-24-13-20-12-21-24/h3-4,11-13,17H,2,5-10H2,1H3.
What are the key properties of 1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine?
1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine has a molecular weight of 335.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 71988927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).