1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine

C24H32N6O — CID 654297

IUPAC1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine
SMILESCOc1ccc(Cn2nnnc2C(CC(C)C)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N6O/c1-19(2)17-23(29-15-13-28(14-16-29)21-7-5-4-6-8-21)24-25-26-27-30(24)18-20-9-11-22(31-3)12-10-20/h4-12,19,23H,13-18H2,1-3H3
InChIKeyCRSDTHJJISYTFJ-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.64
Rot. Bonds8

About 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine

1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine (PubChem CID 654297) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine
PubChem CID654297
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine
SMILESCOc1ccc(Cn2nnnc2C(CC(C)C)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H32N6O/c1-19(2)17-23(29-15-13-28(14-16-29)21-7-5-4-6-8-21)24-25-26-27-30(24)18-20-9-11-22(31-3)12-10-20/h4-12,19,23H,13-18H2,1-3H3
InChIKeyCRSDTHJJISYTFJ-UHFFFAOYSA-N
XLogP3.64
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
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-(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
1-{(3,4-Dimethoxy-phenyl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-4-(3-methoxy-phenyl)-piperazine
CID 650371

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine?
The IUPAC name of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine (CID 654297) is 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine?
The canonical SMILES for 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine is COc1ccc(Cn2nnnc2C(CC(C)C)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine?
The InChIKey is CRSDTHJJISYTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-19(2)17-23(29-15-13-28(14-16-29)21-7-5-4-6-8-21)24-25-26-27-30(24)18-20-9-11-22(31-3)12-10-20/h4-12,19,23H,13-18H2,1-3H3.
What are the key properties of 1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine?
1-[1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine has a molecular weight of 420.56 g/mol, XLogP of 3.64, 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]-3-methylbutyl]-4-phenylpiperazine is sourced from PubChem (CID 654297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).