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

C16H30N6 — CID 3408909

IUPAC1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine
SMILESCC(C)(C)n1nnnc1CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C16H30N6/c1-16(2,3)22-15(17-18-19-22)13-20-9-11-21(12-10-20)14-7-5-4-6-8-14/h14H,4-13H2,1-3H3
InChIKeyVIQNNBAOFHHTRC-UHFFFAOYSA-N
MW306.46 g/mol
LogP1.88
Rot. Bonds3

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

1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine (PubChem CID 3408909) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine
PubChem CID3408909
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine
SMILESCC(C)(C)n1nnnc1CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C16H30N6/c1-16(2,3)22-15(17-18-19-22)13-20-9-11-21(12-10-20)14-7-5-4-6-8-14/h14H,4-13H2,1-3H3
InChIKeyVIQNNBAOFHHTRC-UHFFFAOYSA-N
XLogP1.88
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 51.88
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-cyclohexylpiperazine?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine (CID 3408909) is 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine is CC(C)(C)n1nnnc1CN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine?
The InChIKey is VIQNNBAOFHHTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6/c1-16(2,3)22-15(17-18-19-22)13-20-9-11-21(12-10-20)14-7-5-4-6-8-14/h14H,4-13H2,1-3H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine?
1-[(1-tert-butyltetrazol-5-yl)methyl]-4-cyclohexylpiperazine has a molecular weight of 306.46 g/mol, XLogP of 1.88, 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-cyclohexylpiperazine is sourced from PubChem (CID 3408909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).