1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine

C16H28N6O — CID 3209472

IUPAC1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C(CC)c2nnnn2CC2CCCO2)CC1
InChIInChI=1S/C16H28N6O/c1-3-7-20-8-10-21(11-9-20)15(4-2)16-17-18-19-22(16)13-14-6-5-12-23-14/h3,14-15H,1,4-13H2,2H3
InChIKeySHJHVRVHHYNPEF-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.11
Rot. Bonds7

About 1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine

1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine (PubChem CID 3209472) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine
PubChem CID3209472
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(C(CC)c2nnnn2CC2CCCO2)CC1
InChIInChI=1S/C16H28N6O/c1-3-7-20-8-10-21(11-9-20)15(4-2)16-17-18-19-22(16)13-14-6-5-12-23-14/h3,14-15H,1,4-13H2,2H3
InChIKeySHJHVRVHHYNPEF-UHFFFAOYSA-N
XLogP1.11
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine?
The IUPAC name of 1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine (CID 3209472) is 1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine?
The canonical SMILES for 1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine is C=CCN1CCN(C(CC)c2nnnn2CC2CCCO2)CC1.
What is the InChIKey of 1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine?
The InChIKey is SHJHVRVHHYNPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c1-3-7-20-8-10-21(11-9-20)15(4-2)16-17-18-19-22(16)13-14-6-5-12-23-14/h3,14-15H,1,4-13H2,2H3.
What are the key properties of 1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine?
1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine has a molecular weight of 320.44 g/mol, XLogP of 1.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-4-prop-2-enylpiperazine is sourced from PubChem (CID 3209472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).