1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone

C14H18N6O — CID 1223040

IUPAC1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H18N6O/c21-14(11-20-12-15-16-17-20)19-8-6-18(7-9-19)10-13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyAYKHSLVNTZOWLX-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.02
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone

1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone (PubChem CID 1223040) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone
PubChem CID1223040
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H18N6O/c21-14(11-20-12-15-16-17-20)19-8-6-18(7-9-19)10-13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyAYKHSLVNTZOWLX-UHFFFAOYSA-N
XLogP0.02
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone (CID 1223040) is 1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone?
The InChIKey is AYKHSLVNTZOWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c21-14(11-20-12-15-16-17-20)19-8-6-18(7-9-19)10-13-4-2-1-3-5-13/h1-5,12H,6-11H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone has a molecular weight of 286.34 g/mol, XLogP of 0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 1223040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).