1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine

C21H32N6O2 — CID 3201726

IUPAC1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine
SMILESCOc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C21H32N6O2/c1-25-11-13-26(14-12-25)20(18-10-9-17(28-2)15-19(18)29-3)21-22-23-24-27(21)16-7-5-4-6-8-16/h9-10,15-16,20H,4-8,11-14H2,1-3H3
InChIKeyVWGBQMBHQDJADZ-UHFFFAOYSA-N
MW400.53 g/mol
LogP2.53
Rot. Bonds6

About 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine

1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine (PubChem CID 3201726) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine
PubChem CID3201726
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine
SMILESCOc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(C)CC2)c(OC)c1
InChIInChI=1S/C21H32N6O2/c1-25-11-13-26(14-12-25)20(18-10-9-17(28-2)15-19(18)29-3)21-22-23-24-27(21)16-7-5-4-6-8-16/h9-10,15-16,20H,4-8,11-14H2,1-3H3
InChIKeyVWGBQMBHQDJADZ-UHFFFAOYSA-N
XLogP2.53
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine (CID 3201726) is 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine is COc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(C)CC2)c(OC)c1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine?
The InChIKey is VWGBQMBHQDJADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-25-11-13-26(14-12-25)20(18-10-9-17(28-2)15-19(18)29-3)21-22-23-24-27(21)16-7-5-4-6-8-16/h9-10,15-16,20H,4-8,11-14H2,1-3H3.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine?
1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine has a molecular weight of 400.53 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 3201726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).