1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine

C13H18N6 — CID 23669

IUPAC1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine
SMILESc1ccc(N2CCN(CCc3nn[nH]n3)CC2)cc1
InChIInChI=1S/C13H18N6/c1-2-4-12(5-3-1)19-10-8-18(9-11-19)7-6-13-14-16-17-15-13/h1-5H,6-11H2,(H,14,15,16,17)
InChIKeyXTTHMUYLNLEJRS-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.56
Rot. Bonds4

About 1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine

1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine (PubChem CID 23669) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine
PubChem CID23669
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine
SMILESc1ccc(N2CCN(CCc3nn[nH]n3)CC2)cc1
InChIInChI=1S/C13H18N6/c1-2-4-12(5-3-1)19-10-8-18(9-11-19)7-6-13-14-16-17-15-13/h1-5H,6-11H2,(H,14,15,16,17)
InChIKeyXTTHMUYLNLEJRS-UHFFFAOYSA-N
XLogP0.56
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1-Tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine
CID 3208847
1H-Tetrazole-5-ethanamine, N-phenyl-
CID 3041345
Zolertine Hydrochloride
CID 9817619
1-Phenyl-5-(piperidin-1-ylmethyl)tetrazole
CID 91265477
1-[1-[1-(2-Methylbutan-2-yl)tetrazol-5-yl]propyl]-4-phenylpiperazine
CID 3209043
2,4-Dimethyl-1-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 71877550
N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191162
N-octyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191163
N-decyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191164
N-dodecyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191165
N-[(2-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191202
N-[(3-fluorophenyl)methyl]-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191203

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine?
The IUPAC name of 1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine (CID 23669) is 1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine?
The canonical SMILES for 1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine is c1ccc(N2CCN(CCc3nn[nH]n3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine?
The InChIKey is XTTHMUYLNLEJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-2-4-12(5-3-1)19-10-8-18(9-11-19)7-6-13-14-16-17-15-13/h1-5H,6-11H2,(H,14,15,16,17).
What are the key properties of 1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine?
1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine has a molecular weight of 258.33 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[2-(2H-tetrazol-5-yl)ethyl]piperazine is sourced from PubChem (CID 23669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).