1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine

C18H26N6O — CID 89157981

IUPAC1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine
SMILESc1cc(-n2cnnn2)ccc1OCC1CCC(N2CCNCC2)CC1
InChIInChI=1S/C18H26N6O/c1-3-16(23-11-9-19-10-12-23)4-2-15(1)13-25-18-7-5-17(6-8-18)24-14-20-21-22-24/h5-8,14-16,19H,1-4,9-13H2
InChIKeyXFKXILDCSSRHNK-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.51
Rot. Bonds5

About 1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine

1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine (PubChem CID 89157981) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine.

Molecular Properties

Compound Name1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine
PubChem CID89157981
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine
SMILESc1cc(-n2cnnn2)ccc1OCC1CCC(N2CCNCC2)CC1
InChIInChI=1S/C18H26N6O/c1-3-16(23-11-9-19-10-12-23)4-2-15(1)13-25-18-7-5-17(6-8-18)24-14-20-21-22-24/h5-8,14-16,19H,1-4,9-13H2
InChIKeyXFKXILDCSSRHNK-UHFFFAOYSA-N
XLogP1.51
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-Methoxy-5-tetrazol-1-ylbenzyl)(2-phenylpiperidin-3-yl)amine
CID 127943
(2S,3S)-N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 127944
(2S,3S)-N-[[2-methoxy-5-(1,2,4-triazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 10784942
(2S,3S)-3-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methoxy]-2-phenylpiperidine
CID 122182821
N-(2-methylcyclohexyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2998278
1-(1-Phenyl-1H-tetrazol-5-yl)-piperidine-4-carboxylic acid (4-ethoxy-phenyl)-amide
CID 3222676
N-[[2-methoxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 22106483
2-[4-[[1-(4-Propan-2-yloxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanamine
CID 156021565
N-[[2-(2-methylpropoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
CID 44213616
N-[[2-cyclopentyloxy-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 44213412
N-[[2-(cyclopropylmethoxy)-5-(tetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 44213413
N-[1-[2-methoxy-5-(tetrazol-1-yl)phenyl]ethyl]-2-phenylpiperidin-3-amine
CID 44214096

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine?
The IUPAC name of 1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine (CID 89157981) is 1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine.
What is the SMILES notation for 1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine?
The canonical SMILES for 1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine is c1cc(-n2cnnn2)ccc1OCC1CCC(N2CCNCC2)CC1.
What is the InChIKey of 1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine?
The InChIKey is XFKXILDCSSRHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-3-16(23-11-9-19-10-12-23)4-2-15(1)13-25-18-7-5-17(6-8-18)24-14-20-21-22-24/h5-8,14-16,19H,1-4,9-13H2.
What are the key properties of 1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine?
1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine has a molecular weight of 342.45 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(tetrazol-1-yl)phenoxy]methyl]cyclohexyl]piperazine is sourced from PubChem (CID 89157981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).