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

C15H28N6 — CID 655281

IUPAC1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
SMILESCC(C)(C)n1nnnc1CN1CCN(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
InChIKeyIVXRFIYIBCNRDG-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.49
Rot. Bonds3

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

1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine (PubChem CID 655281) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
PubChem CID655281
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine
SMILESCC(C)(C)n1nnnc1CN1CCN(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
InChIKeyIVXRFIYIBCNRDG-UHFFFAOYSA-N
XLogP1.49
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine (CID 655281) is 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine is CC(C)(C)n1nnnc1CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine?
The InChIKey is IVXRFIYIBCNRDG-UHFFFAOYSA-N. 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.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine?
1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine has a molecular weight of 292.43 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 655281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).