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

C16H23ClN6O — CID 3201740

IUPAC1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
SMILESCOCCn1nnnc1C(c1ccc(Cl)cc1)N1CCN(C)CC1
InChIInChI=1S/C16H23ClN6O/c1-21-7-9-22(10-8-21)15(13-3-5-14(17)6-4-13)16-18-19-20-23(16)11-12-24-2/h3-6,15H,7-12H2,1-2H3
InChIKeyHBXFRLUSVHAXBY-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.31
Rot. Bonds6

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

1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperazine (PubChem CID 3201740) has the molecular formula C16H23ClN6O and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
PubChem CID3201740
Molecular FormulaC16H23ClN6O
Molecular Weight350.85 g/mol
Exact Mass350.16
IUPAC Name1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
SMILESCOCCn1nnnc1C(c1ccc(Cl)cc1)N1CCN(C)CC1
InChIInChI=1S/C16H23ClN6O/c1-21-7-9-22(10-8-21)15(13-3-5-14(17)6-4-13)16-18-19-20-23(16)11-12-24-2/h3-6,15H,7-12H2,1-2H3
InChIKeyHBXFRLUSVHAXBY-UHFFFAOYSA-N
XLogP1.31
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperazine (CID 3201740) is 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperazine is COCCn1nnnc1C(c1ccc(Cl)cc1)N1CCN(C)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperazine?
The InChIKey is HBXFRLUSVHAXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN6O/c1-21-7-9-22(10-8-21)15(13-3-5-14(17)6-4-13)16-18-19-20-23(16)11-12-24-2/h3-6,15H,7-12H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperazine?
1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperazine has a molecular weight of 350.85 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 3201740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).