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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Related Compounds

1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine
CID 3408909
1-tert-butyl-5-(pyrrolidin-1-ylmethyl)tetrazole
CID 1432295
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine
CID 858492
1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride
CID 53314125
1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclopentylpiperazine-1,4-diium
CID 6951783
1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine
CID 91835639
1-cyclopentyl-4-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine
CID 857698
(3S)-3-methyl-1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine
CID 1432437
[1-[(1-tert-butyltetrazol-5-yl)methyl]-4-methylpiperazin-2-yl]methanol
CID 126831554
1-[(S)-(1-tert-butyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-cyclopentylpiperazine
CID 1443842
2-[[1-[(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-yl]tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 162589988
1-[(1-tert-butyltetrazol-5-yl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 126828764

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).