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

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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).