1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine

C18H28N6O2 — CID 7391642

IUPAC1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
SMILESCCN1CCN([C@H](c2ccccc2OC)c2nnnn2CCOC)CC1
InChIInChI=1S/C18H28N6O2/c1-4-22-9-11-23(12-10-22)17(15-7-5-6-8-16(15)26-3)18-19-20-21-24(18)13-14-25-2/h5-8,17H,4,9-14H2,1-3H3/t17-/m1/s1
InChIKeyWMLPEATVXVZCKO-QGZVFWFLSA-N
MW360.46 g/mol
LogP1.05
Rot. Bonds8

About 1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine

1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine (PubChem CID 7391642) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
PubChem CID7391642
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
SMILESCCN1CCN([C@H](c2ccccc2OC)c2nnnn2CCOC)CC1
InChIInChI=1S/C18H28N6O2/c1-4-22-9-11-23(12-10-22)17(15-7-5-6-8-16(15)26-3)18-19-20-21-24(18)13-14-25-2/h5-8,17H,4,9-14H2,1-3H3/t17-/m1/s1
InChIKeyWMLPEATVXVZCKO-QGZVFWFLSA-N
XLogP1.05
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-ethyl-4-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 7397427
1-benzyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 3209350
1-ethyl-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
CID 3209372
1-(2-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 7098170
1-(2-fluorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 7098168
1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171667970
1-(3-chlorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171668302
1-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685851
1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 3209730
1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668406
1-[(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 6603625
1-[(R)-(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446292

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine (CID 7391642) is 1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine is CCN1CCN([C@H](c2ccccc2OC)c2nnnn2CCOC)CC1.
What is the InChIKey of 1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine?
The InChIKey is WMLPEATVXVZCKO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-4-22-9-11-23(12-10-22)17(15-7-5-6-8-16(15)26-3)18-19-20-21-24(18)13-14-25-2/h5-8,17H,4,9-14H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine?
1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine has a molecular weight of 360.46 g/mol, XLogP of 1.05, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 7391642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).