1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine

C16H24N6O — CID 650294

IUPAC1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
SMILESCOCCn1nnnc1C(c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C16H24N6O/c1-20-8-10-21(11-9-20)15(14-6-4-3-5-7-14)16-17-18-19-22(16)12-13-23-2/h3-7,15H,8-13H2,1-2H3
InChIKeyRPQJVONMARYFJR-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.66
Rot. Bonds6

About 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine

1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine (PubChem CID 650294) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
PubChem CID650294
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
SMILESCOCCn1nnnc1C(c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C16H24N6O/c1-20-8-10-21(11-9-20)15(14-6-4-3-5-7-14)16-17-18-19-22(16)12-13-23-2/h3-7,15H,8-13H2,1-2H3
InChIKeyRPQJVONMARYFJR-UHFFFAOYSA-N
XLogP0.66
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine?
The IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine (CID 650294) is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine?
The canonical SMILES for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine is COCCn1nnnc1C(c1ccccc1)N1CCN(C)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine?
The InChIKey is RPQJVONMARYFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-20-8-10-21(11-9-20)15(14-6-4-3-5-7-14)16-17-18-19-22(16)12-13-23-2/h3-7,15H,8-13H2,1-2H3.
What are the key properties of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine?
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine has a molecular weight of 316.41 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine is sourced from PubChem (CID 650294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).