1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine

C15H26N6 — CID 857872

IUPAC1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(Cc2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C15H26N6/c1-2-8-19-9-11-20(12-10-19)13-15-16-17-18-21(15)14-6-4-3-5-7-14/h2,14H,1,3-13H2
InChIKeyGYMLRNMBJFVHPD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.48
Rot. Bonds5

About 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine

1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine (PubChem CID 857872) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine
PubChem CID857872
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(Cc2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C15H26N6/c1-2-8-19-9-11-20(12-10-19)13-15-16-17-18-21(15)14-6-4-3-5-7-14/h2,14H,1,3-13H2
InChIKeyGYMLRNMBJFVHPD-UHFFFAOYSA-N
XLogP1.48
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine (CID 857872) is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine is C=CCN1CCN(Cc2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine?
The InChIKey is GYMLRNMBJFVHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-2-8-19-9-11-20(12-10-19)13-15-16-17-18-21(15)14-6-4-3-5-7-14/h2,14H,1,3-13H2.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine?
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine has a molecular weight of 290.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-prop-2-enylpiperazine is sourced from PubChem (CID 857872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).