1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride

C23H31ClN6O — CID 6603051

IUPAC1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCCCC(c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2OC)CC1.Cl
InChIInChI=1S/C23H30N6O.ClH/c1-3-9-21(23-24-25-26-29(23)18-19-10-5-4-6-11-19)28-16-14-27(15-17-28)20-12-7-8-13-22(20)30-2;/h4-8,10-13,21H,3,9,14-18H2,1-2H3;1H
InChIKeyQFXSOOFUFNDZIL-UHFFFAOYSA-N
MW443.00 g/mol
LogP3.82
Rot. Bonds8

About 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride

1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride (PubChem CID 6603051) has the molecular formula C23H31ClN6O and a molecular weight of 443.00 g/mol. Its IUPAC name is 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
PubChem CID6603051
Molecular FormulaC23H31ClN6O
Molecular Weight443.00 g/mol
Exact Mass442.22
IUPAC Name1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCCCC(c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2OC)CC1.Cl
InChIInChI=1S/C23H30N6O.ClH/c1-3-9-21(23-24-25-26-29(23)18-19-10-5-4-6-11-19)28-16-14-27(15-17-28)20-12-7-8-13-22(20)30-2;/h4-8,10-13,21H,3,9,14-18H2,1-2H3;1H
InChIKeyQFXSOOFUFNDZIL-UHFFFAOYSA-N
XLogP3.82
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.00
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride (CID 6603051) is 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride is CCCC(c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2OC)CC1.Cl.
What is the InChIKey of 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is QFXSOOFUFNDZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O.ClH/c1-3-9-21(23-24-25-26-29(23)18-19-10-5-4-6-11-19)28-16-14-27(15-17-28)20-12-7-8-13-22(20)30-2;/h4-8,10-13,21H,3,9,14-18H2,1-2H3;1H.
What are the key properties of 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride?
1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 443.00 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 6603051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).