1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride

C24H33ClN6O2 — CID 6603046

IUPAC1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride
SMILESCOc1ccc(CCn2nnnc2C(c2ccc(C)cc2)N2CCN(C)CC2)cc1OC.Cl
InChIInChI=1S/C24H32N6O2.ClH/c1-18-5-8-20(9-6-18)23(29-15-13-28(2)14-16-29)24-25-26-27-30(24)12-11-19-7-10-21(31-3)22(17-19)32-4;/h5-10,17,23H,11-16H2,1-4H3;1H
InChIKeyGDPGGSUMFLYOFA-UHFFFAOYSA-N
MW473.02 g/mol
LogP3.00
Rot. Bonds8

About 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride

1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride (PubChem CID 6603046) has the molecular formula C24H33ClN6O2 and a molecular weight of 473.02 g/mol. Its IUPAC name is 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride
PubChem CID6603046
Molecular FormulaC24H33ClN6O2
Molecular Weight473.02 g/mol
Exact Mass472.24
IUPAC Name1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride
SMILESCOc1ccc(CCn2nnnc2C(c2ccc(C)cc2)N2CCN(C)CC2)cc1OC.Cl
InChIInChI=1S/C24H32N6O2.ClH/c1-18-5-8-20(9-6-18)23(29-15-13-28(2)14-16-29)24-25-26-27-30(24)12-11-19-7-10-21(31-3)22(17-19)32-4;/h5-10,17,23H,11-16H2,1-4H3;1H
InChIKeyGDPGGSUMFLYOFA-UHFFFAOYSA-N
XLogP3.00
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.02
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride (CID 6603046) is 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride is COc1ccc(CCn2nnnc2C(c2ccc(C)cc2)N2CCN(C)CC2)cc1OC.Cl.
What is the InChIKey of 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride?
The InChIKey is GDPGGSUMFLYOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2.ClH/c1-18-5-8-20(9-6-18)23(29-15-13-28(2)14-16-29)24-25-26-27-30(24)12-11-19-7-10-21(31-3)22(17-19)32-4;/h5-10,17,23H,11-16H2,1-4H3;1H.
What are the key properties of 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride?
1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride has a molecular weight of 473.02 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 6603046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).