1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine

C23H30N6O — CID 53300960

IUPAC1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine
SMILESCCCCn1nnnc1C(c1ccccc1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C23H30N6O/c1-3-4-14-29-23(24-25-26-29)22(19-10-6-5-7-11-19)28-17-15-27(16-18-28)20-12-8-9-13-21(20)30-2/h5-13,22H,3-4,14-18H2,1-2H3
InChIKeyPSFLCYMIIMPACF-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.39
Rot. Bonds8

About 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine

1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 53300960) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine
PubChem CID53300960
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine
SMILESCCCCn1nnnc1C(c1ccccc1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C23H30N6O/c1-3-4-14-29-23(24-25-26-29)22(19-10-6-5-7-11-19)28-17-15-27(16-18-28)20-12-8-9-13-21(20)30-2/h5-13,22H,3-4,14-18H2,1-2H3
InChIKeyPSFLCYMIIMPACF-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

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Related Compounds

1-(2-Methoxyphenyl)-4-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazine
CID 137646281
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-(2-Ethoxy-phenyl)-3-[9-(1-phenethyl-1H-tetrazol-5-ylmethyl)-9-aza-bicyclo[3.3.1]non-3-yl]-urea
CID 647224
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-(4-methoxy-phenyl)-piperazine
CID 648069
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-{(3,4-Dimethoxy-phenyl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 650880
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 651386

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine (CID 53300960) is 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine is CCCCn1nnnc1C(c1ccccc1)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is PSFLCYMIIMPACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-3-4-14-29-23(24-25-26-29)22(19-10-6-5-7-11-19)28-17-15-27(16-18-28)20-12-8-9-13-21(20)30-2/h5-13,22H,3-4,14-18H2,1-2H3.
What are the key properties of 1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine?
1-[(1-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine 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-butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 53300960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).