4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol

C17H18N6O — CID 2480492

IUPAC4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C17H18N6O/c24-16-8-6-14(7-9-16)21-10-12-22(13-11-21)17-18-19-20-23(17)15-4-2-1-3-5-15/h1-9,24H,10-13H2
InChIKeySCPOUXBOXZRUEC-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.69
Rot. Bonds3

About 4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol

4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol (PubChem CID 2480492) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol
PubChem CID2480492
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1
InChIInChI=1S/C17H18N6O/c24-16-8-6-14(7-9-16)21-10-12-22(13-11-21)17-18-19-20-23(17)15-4-2-1-3-5-15/h1-9,24H,10-13H2
InChIKeySCPOUXBOXZRUEC-UHFFFAOYSA-N
XLogP1.69
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1H-1,2,3,4-tetrazol-1-yl)phenol
CID 542910
2-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]phenol
CID 2419802
1-[4-[4-(1-Phenyltetrazol-5-yl)oxyphenyl]piperazin-1-yl]ethanone
CID 2541756
4-[2-Phenylethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]phenol
CID 75377685
3-[[4-[(1-Phenyltetrazol-5-yl)oxymethyl]piperidin-1-yl]methyl]phenol
CID 9885463
2-[1-(4-Hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 2738236
4-[4-[[1-[(4-Fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol
CID 1446536
4-[[4-[(1-Ethylpyrrolidin-2-yl)methylamino]-6-(3-fluoro-4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-2-fluorophenol
CID 71126195
5-Amino-1-(P-hydroxyphenyl)tetrazole
CID 285133
p-(5-((Diethylamino)methyl)-1H-tetrazol-1-yl)phenol hydrochloride
CID 3029869
1-[4-(2-Fluorophenyl)piperazin-1-yl]-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 8450488
4-[[4-[Cyclohexyl(methyl)amino]-6-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]-2-fluorophenol
CID 11189969

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol (CID 2480492) is 4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol is Oc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol?
The InChIKey is SCPOUXBOXZRUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-16-8-6-14(7-9-16)21-10-12-22(13-11-21)17-18-19-20-23(17)15-4-2-1-3-5-15/h1-9,24H,10-13H2.
What are the key properties of 4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol?
4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol has a molecular weight of 322.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 2480492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).