1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine

C15H28N6O — CID 44753119

IUPAC1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
SMILESCOCCn1nnnc1CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H28N6O/c1-22-12-11-21-15(16-17-18-21)13-19-7-9-20(10-8-19)14-5-3-2-4-6-14/h14H,2-13H2,1H3
InChIKeyFZZCYJKZLCFQPU-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.77
Rot. Bonds6

About 1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine

1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 44753119) has the molecular formula C15H28N6O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID44753119
Molecular FormulaC15H28N6O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC Name1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
SMILESCOCCn1nnnc1CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H28N6O/c1-22-12-11-21-15(16-17-18-21)13-19-7-9-20(10-8-19)14-5-3-2-4-6-14/h14H,2-13H2,1H3
InChIKeyFZZCYJKZLCFQPU-UHFFFAOYSA-N
XLogP0.77
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[1-(2-Methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine;hydrochloride
CID 16187388
4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-2-methyl-propyl]-morpholine
CID 646478
4-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-2-methyl-propyl]-morpholine
CID 3173825
1-Ethyl-4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-pentyl}-piperazine
CID 9549571
1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-4-methyl-piperidine
CID 3201579
4-{1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-morpholine
CID 6602550
2-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-octahydro-pyrrolo[1,2-a]pyrazine
CID 6602561
4-[1-[1-(2-Methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine
CID 648013
2-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 650052
1-{1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-pentyl}-4-methyl-piperazine
CID 9549575
1-[1-[1-(2-Methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-3-methylpiperidine
CID 3193567
1-Ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine
CID 3209235

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine (CID 44753119) is 1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine is COCCn1nnnc1CN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is FZZCYJKZLCFQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O/c1-22-12-11-21-15(16-17-18-21)13-19-7-9-20(10-8-19)14-5-3-2-4-6-14/h14H,2-13H2,1H3.
What are the key properties of 1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 308.43 g/mol, XLogP of 0.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 44753119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).