1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine

C17H25ClN6O — CID 3209384

IUPAC1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
SMILESCCN1CCN(C(c2ccccc2Cl)c2nnnn2CCOC)CC1
InChIInChI=1S/C17H25ClN6O/c1-3-22-8-10-23(11-9-22)16(14-6-4-5-7-15(14)18)17-19-20-21-24(17)12-13-25-2/h4-7,16H,3,8-13H2,1-2H3
InChIKeyCRQPFYNGHDRJPM-UHFFFAOYSA-N
MW364.88 g/mol
LogP1.70
Rot. Bonds7

About 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine

1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine (PubChem CID 3209384) has the molecular formula C17H25ClN6O and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
PubChem CID3209384
Molecular FormulaC17H25ClN6O
Molecular Weight364.88 g/mol
Exact Mass364.18
IUPAC Name1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
SMILESCCN1CCN(C(c2ccccc2Cl)c2nnnn2CCOC)CC1
InChIInChI=1S/C17H25ClN6O/c1-3-22-8-10-23(11-9-22)16(14-6-4-5-7-15(14)18)17-19-20-21-24(17)12-13-25-2/h4-7,16H,3,8-13H2,1-2H3
InChIKeyCRQPFYNGHDRJPM-UHFFFAOYSA-N
XLogP1.70
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine (CID 3209384) is 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine is CCN1CCN(C(c2ccccc2Cl)c2nnnn2CCOC)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine?
The InChIKey is CRQPFYNGHDRJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN6O/c1-3-22-8-10-23(11-9-22)16(14-6-4-5-7-15(14)18)17-19-20-21-24(17)12-13-25-2/h4-7,16H,3,8-13H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine?
1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine has a molecular weight of 364.88 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine is sourced from PubChem (CID 3209384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).