4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol

C19H21FN6O — CID 1446536

IUPAC4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3nnnn3Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN6O/c20-16-3-1-15(2-4-16)13-26-19(21-22-23-26)14-24-9-11-25(12-10-24)17-5-7-18(27)8-6-17/h1-8,27H,9-14H2
InChIKeyRZRRAWQEYUJUEQ-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.89
Rot. Bonds5

About 4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol

4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol (PubChem CID 1446536) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol
PubChem CID1446536
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3nnnn3Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H21FN6O/c20-16-3-1-15(2-4-16)13-26-19(21-22-23-26)14-24-9-11-25(12-10-24)17-5-7-18(27)8-6-17/h1-8,27H,9-14H2
InChIKeyRZRRAWQEYUJUEQ-UHFFFAOYSA-N
XLogP1.89
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-Methoxy-phenyl)-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 646404
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-(4-methoxy-phenyl)-piperazine
CID 648069
4-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]phenol
CID 2480492
4-[4-[1-[1-[(4-Fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-1-yl]phenol
CID 3209794
1-(4-Methoxy-phenyl)-4-[2-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 647343
1-(4-Methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 1438466
1-[1-(1-Benzyltetrazol-5-yl)propyl]-4-(4-methoxyphenyl)piperazine
CID 3209622
1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]propyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 51360425
1-[(1-Tert-butyltetrazol-5-yl)-phenylmethyl]-4-(4-methoxyphenyl)piperazine
CID 3208892
1-[(1-Butyltetrazol-5-yl)-phenylmethyl]-4-(4-methoxyphenyl)piperazine
CID 53300965
4-[2-Phenylethyl-[2-(1,2,4-triazol-1-yl)ethyl]amino]phenol
CID 75377685
1-[(1-Benzyltetrazol-5-yl)-phenylmethyl]-4-(4-methoxyphenyl)piperazine
CID 3209677

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol (CID 1446536) is 4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(Cc3nnnn3Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol?
The InChIKey is RZRRAWQEYUJUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c20-16-3-1-15(2-4-16)13-26-19(21-22-23-26)14-24-9-11-25(12-10-24)17-5-7-18(27)8-6-17/h1-8,27H,9-14H2.
What are the key properties of 4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol?
4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol has a molecular weight of 368.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 1446536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).