1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

C12H22N6O — CID 3209519

IUPAC1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCN1CCN(Cc2nnnn2CC2CCCO2)CC1
InChIInChI=1S/C12H22N6O/c1-16-4-6-17(7-5-16)10-12-13-14-15-18(12)9-11-3-2-8-19-11/h11H,2-10H2,1H3
InChIKeySESWILXASOQADF-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.40
Rot. Bonds4

About 1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 3209519) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID3209519
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCN1CCN(Cc2nnnn2CC2CCCO2)CC1
InChIInChI=1S/C12H22N6O/c1-16-4-6-17(7-5-16)10-12-13-14-15-18(12)9-11-3-2-8-19-11/h11H,2-10H2,1H3
InChIKeySESWILXASOQADF-UHFFFAOYSA-N
XLogP-0.40
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (CID 3209519) is 1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is CN1CCN(Cc2nnnn2CC2CCCO2)CC1.
What is the InChIKey of 1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is SESWILXASOQADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-16-4-6-17(7-5-16)10-12-13-14-15-18(12)9-11-3-2-8-19-11/h11H,2-10H2,1H3.
What are the key properties of 1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 266.35 g/mol, XLogP of -0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 3209519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).