1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride

C18H29ClN6O — CID 6602589

IUPAC1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
SMILESCCC(c1nnnn1CCOC)N1CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C18H28N6O.ClH/c1-3-17(18-19-20-21-24(18)13-14-25-2)23-11-9-22(10-12-23)15-16-7-5-4-6-8-16;/h4-8,17H,3,9-15H2,1-2H3;1H
InChIKeyZHYPDTTUWUYJSU-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.01
Rot. Bonds8

About 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride

1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride (PubChem CID 6602589) has the molecular formula C18H29ClN6O and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
PubChem CID6602589
Molecular FormulaC18H29ClN6O
Molecular Weight380.92 g/mol
Exact Mass380.21
IUPAC Name1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
SMILESCCC(c1nnnn1CCOC)N1CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C18H28N6O.ClH/c1-3-17(18-19-20-21-24(18)13-14-25-2)23-11-9-22(10-12-23)15-16-7-5-4-6-8-16;/h4-8,17H,3,9-15H2,1-2H3;1H
InChIKeyZHYPDTTUWUYJSU-UHFFFAOYSA-N
XLogP2.01
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride?
The IUPAC name of 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride (CID 6602589) is 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride?
The canonical SMILES for 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride is CCC(c1nnnn1CCOC)N1CCN(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride?
The InChIKey is ZHYPDTTUWUYJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O.ClH/c1-3-17(18-19-20-21-24(18)13-14-25-2)23-11-9-22(10-12-23)15-16-7-5-4-6-8-16;/h4-8,17H,3,9-15H2,1-2H3;1H.
What are the key properties of 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride?
1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride has a molecular weight of 380.92 g/mol, XLogP of 2.01, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride is sourced from PubChem (CID 6602589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).