1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium

C15H30N6+2 — CID 6951783

IUPAC1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium
SMILESCC(C)(C)n1nnnc1C[NH+]1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C15H28N6/c1-15(2,3)21-14(16-17-18-21)12-19-8-10-20(11-9-19)13-6-4-5-7-13/h13H,4-12H2,1-3H3/p+2
InChIKeyIVXRFIYIBCNRDG-UHFFFAOYSA-P
MW294.45 g/mol
LogP-1.35
Rot. Bonds3

About 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium

1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium (PubChem CID 6951783) has the molecular formula C15H30N6+2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium
PubChem CID6951783
Molecular FormulaC15H30N6+2
Molecular Weight294.45 g/mol
Exact Mass294.25
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium
SMILESCC(C)(C)n1nnnc1C[NH+]1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C15H28N6/c1-15(2,3)21-14(16-17-18-21)12-19-8-10-20(11-9-19)13-6-4-5-7-13/h13H,4-12H2,1-3H3/p+2
InChIKeyIVXRFIYIBCNRDG-UHFFFAOYSA-P
XLogP-1.35
TPSA52.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium (CID 6951783) is 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium is CC(C)(C)n1nnnc1C[NH+]1CC[NH+](C2CCCC2)CC1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium?
The InChIKey is IVXRFIYIBCNRDG-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H28N6/c1-15(2,3)21-14(16-17-18-21)12-19-8-10-20(11-9-19)13-6-4-5-7-13/h13H,4-12H2,1-3H3/p+2.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium?
1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium has a molecular weight of 294.45 g/mol, XLogP of -1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium is sourced from PubChem (CID 6951783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).