1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride

C24H33ClN6O2 — CID 6603100

IUPAC1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride
SMILESCCN1CCN(C(c2ccccc2)c2nnnn2CCc2ccc(OC)c(OC)c2)CC1.Cl
InChIInChI=1S/C24H32N6O2.ClH/c1-4-28-14-16-29(17-15-28)23(20-8-6-5-7-9-20)24-25-26-27-30(24)13-12-19-10-11-21(31-2)22(18-19)32-3;/h5-11,18,23H,4,12-17H2,1-3H3;1H
InChIKeyQXCGCQMTGYTCSE-UHFFFAOYSA-N
MW473.02 g/mol
LogP3.08
Rot. Bonds9

About 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride

1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride (PubChem CID 6603100) 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]-phenylmethyl]-4-ethylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride
PubChem CID6603100
Molecular FormulaC24H33ClN6O2
Molecular Weight473.02 g/mol
Exact Mass472.24
IUPAC Name1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride
SMILESCCN1CCN(C(c2ccccc2)c2nnnn2CCc2ccc(OC)c(OC)c2)CC1.Cl
InChIInChI=1S/C24H32N6O2.ClH/c1-4-28-14-16-29(17-15-28)23(20-8-6-5-7-9-20)24-25-26-27-30(24)13-12-19-10-11-21(31-2)22(18-19)32-3;/h5-11,18,23H,4,12-17H2,1-3H3;1H
InChIKeyQXCGCQMTGYTCSE-UHFFFAOYSA-N
XLogP3.08
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.02
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-ylmethyl]-1,2,3,4-tetrahydro-isoquinoline
CID 9549627
1-[(2,3-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-phenyl-piperazine
CID 650046
1-[(3,4-Dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-4-methyl-piperazine
CID 654719
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-cyclohexyl-piperazine
CID 645920
1-Benzo[1,3]dioxol-5-ylmethyl-4-[1-(1-benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperazine
CID 649639
1-{(3,4-Dimethoxy-phenyl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-4-(3-methoxy-phenyl)-piperazine
CID 650371
1-{(3,4-Dimethoxy-phenyl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 650880
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-4-phenyl-piperazine
CID 654297
1-Benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 3209195
2-{(2,5-Dimethoxy-phenyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-1,2,3,4-tetrahydro-isoquinoline
CID 6602592
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-cyclopentyl-piperazine
CID 6602633

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride?
The IUPAC name of 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride (CID 6603100) is 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride.
What is the SMILES notation for 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride?
The canonical SMILES for 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride is CCN1CCN(C(c2ccccc2)c2nnnn2CCc2ccc(OC)c(OC)c2)CC1.Cl.
What is the InChIKey of 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride?
The InChIKey is QXCGCQMTGYTCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2.ClH/c1-4-28-14-16-29(17-15-28)23(20-8-6-5-7-9-20)24-25-26-27-30(24)13-12-19-10-11-21(31-2)22(18-19)32-3;/h5-11,18,23H,4,12-17H2,1-3H3;1H.
What are the key properties of 1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride?
1-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-ethylpiperazine;hydrochloride has a molecular weight of 473.02 g/mol, XLogP of 3.08, 9 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]-phenylmethyl]-4-ethylpiperazine;hydrochloride is sourced from PubChem (CID 6603100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).