1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine

C20H23ClN6 — CID 3201738

IUPAC1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccc(Cl)cc2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C20H23ClN6/c1-25-11-13-26(14-12-25)19(17-7-9-18(21)10-8-17)20-22-23-24-27(20)15-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3
InChIKeyWBTBTDFNXSZPEC-UHFFFAOYSA-N
MW382.90 g/mol
LogP2.71
Rot. Bonds5

About 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine

1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine (PubChem CID 3201738) has the molecular formula C20H23ClN6 and a molecular weight of 382.90 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine
PubChem CID3201738
Molecular FormulaC20H23ClN6
Molecular Weight382.90 g/mol
Exact Mass382.17
IUPAC Name1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccc(Cl)cc2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C20H23ClN6/c1-25-11-13-26(14-12-25)19(17-7-9-18(21)10-8-17)20-22-23-24-27(20)15-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3
InChIKeyWBTBTDFNXSZPEC-UHFFFAOYSA-N
XLogP2.71
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine (CID 3201738) is 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine is CN1CCN(C(c2ccc(Cl)cc2)c2nnnn2Cc2ccccc2)CC1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine?
The InChIKey is WBTBTDFNXSZPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6/c1-25-11-13-26(14-12-25)19(17-7-9-18(21)10-8-17)20-22-23-24-27(20)15-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine?
1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine has a molecular weight of 382.90 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 3201738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).