1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine

C21H26N6O2 — CID 1438466

IUPAC1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
SMILESCOc1ccc(Cn2nnnc2CN2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C21H26N6O2/c1-28-19-7-3-17(4-8-19)15-27-21(22-23-24-27)16-25-11-13-26(14-12-25)18-5-9-20(29-2)10-6-18/h3-10H,11-16H2,1-2H3
InChIKeyJVBAARYFQOCJRZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.06
Rot. Bonds7

About 1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine

1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine (PubChem CID 1438466) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
PubChem CID1438466
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
SMILESCOc1ccc(Cn2nnnc2CN2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C21H26N6O2/c1-28-19-7-3-17(4-8-19)15-27-21(22-23-24-27)16-25-11-13-26(14-12-25)18-5-9-20(29-2)10-6-18/h3-10H,11-16H2,1-2H3
InChIKeyJVBAARYFQOCJRZ-UHFFFAOYSA-N
XLogP2.06
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-ylmethyl]-1,2,3,4-tetrahydro-isoquinoline
CID 9549627
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-(2-methoxy-phenyl)-piperazine
CID 646026
Ethyl 2-[5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]tetrazol-1-yl]acetate
CID 1438461
1-(1-(4-methoxyphenyl)-1H-tetrazol-5-yl)-2,3,3-trimethyl-1,2,3,4-tetrahydroisoquinoline
CID 4519665
1-[(2,3-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-phenyl-piperazine
CID 650046
Benzenamine, 4-methyl-N-[2-[1-(4-methoxyphenyl)-5-tetrazolyl]ethenyl]-
CID 5377685
(2S,3S)-N-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 45263832
1-(4-Methoxy-phenyl)-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 646404
1-[1-[1-(1,3-Benzodioxol-5-ylmethyl)tetrazol-5-yl]propyl]-4-(4-fluorophenyl)piperazine
CID 648059
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-(4-methoxy-phenyl)-piperazine
CID 648069
1-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-4-phenyl-piperazine
CID 649016
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,5-dimethoxy-phenyl)-methyl]-4-(4-fluoro-phenyl)-piperazine
CID 649079

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine (CID 1438466) is 1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine is COc1ccc(Cn2nnnc2CN2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The InChIKey is JVBAARYFQOCJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-28-19-7-3-17(4-8-19)15-27-21(22-23-24-27)16-25-11-13-26(14-12-25)18-5-9-20(29-2)10-6-18/h3-10H,11-16H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine?
1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine has a molecular weight of 394.48 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 1438466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).