1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine

C13H24N6 — CID 858492

IUPAC1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C13H24N6/c1-17-7-9-18(10-8-17)11-13-14-15-16-19(13)12-5-3-2-4-6-12/h12H,2-11H2,1H3
InChIKeyVJYQZMFCWOIFPG-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.93
Rot. Bonds3

About 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine

1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine (PubChem CID 858492) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine
PubChem CID858492
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2nnnn2C2CCCCC2)CC1
InChIInChI=1S/C13H24N6/c1-17-7-9-18(10-8-17)11-13-14-15-16-19(13)12-5-3-2-4-6-12/h12H,2-11H2,1H3
InChIKeyVJYQZMFCWOIFPG-UHFFFAOYSA-N
XLogP0.93
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine (CID 858492) is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine is CN1CCN(Cc2nnnn2C2CCCCC2)CC1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine?
The InChIKey is VJYQZMFCWOIFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-17-7-9-18(10-8-17)11-13-14-15-16-19(13)12-5-3-2-4-6-12/h12H,2-11H2,1H3.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine?
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methylpiperazine has a molecular weight of 264.38 g/mol, XLogP of 0.93, 3 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-methylpiperazine is sourced from PubChem (CID 858492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).