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

C23H30N6O — CID 651378

IUPAC1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine
SMILESCCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N6O/c1-3-7-22(28-16-14-27(15-17-28)20-8-5-4-6-9-20)23-24-25-26-29(23)18-19-10-12-21(30-2)13-11-19/h4-6,8-13,22H,3,7,14-18H2,1-2H3
InChIKeyPRZMGSOFJKDQNB-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.39
Rot. Bonds8

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

1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine (PubChem CID 651378) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine
PubChem CID651378
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine
SMILESCCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N6O/c1-3-7-22(28-16-14-27(15-17-28)20-8-5-4-6-9-20)23-24-25-26-29(23)18-19-10-12-21(30-2)13-11-19/h4-6,8-13,22H,3,7,14-18H2,1-2H3
InChIKeyPRZMGSOFJKDQNB-UHFFFAOYSA-N
XLogP3.39
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
1-[(3,4-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
CID 654719
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
1-{(2,4-Dimethoxy-phenyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 649413
1-[1-(1-Benzo[1,3]dioxol-5-ylmethyl-1H-tetrazol-5-yl)-propyl]-4-(4-methoxy-phenyl)-piperazine
CID 649584

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine?
The IUPAC name of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine (CID 651378) is 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine?
The canonical SMILES for 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine is CCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine?
The InChIKey is PRZMGSOFJKDQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-3-7-22(28-16-14-27(15-17-28)20-8-5-4-6-9-20)23-24-25-26-29(23)18-19-10-12-21(30-2)13-11-19/h4-6,8-13,22H,3,7,14-18H2,1-2H3.
What are the key properties of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine?
1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine has a molecular weight of 406.53 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]-4-phenylpiperazine is sourced from PubChem (CID 651378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).