1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride

C24H33ClN6O2 — CID 171668291

IUPAC1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOCCn1nnnc1C(c1ccc(OC)cc1)N1CCN(c2cc(C)ccc2C)CC1.Cl
InChIInChI=1S/C24H32N6O2.ClH/c1-18-5-6-19(2)22(17-18)28-11-13-29(14-12-28)23(20-7-9-21(32-4)10-8-20)24-25-26-27-30(24)15-16-31-3;/h5-10,17,23H,11-16H2,1-4H3;1H
InChIKeyLKVLDHGUXRFJKX-UHFFFAOYSA-N
MW473.02 g/mol
LogP3.28
Rot. Bonds8

About 1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride

1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride (PubChem CID 171668291) has the molecular formula C24H33ClN6O2 and a molecular weight of 473.02 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride
PubChem CID171668291
Molecular FormulaC24H33ClN6O2
Molecular Weight473.02 g/mol
Exact Mass472.24
IUPAC Name1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOCCn1nnnc1C(c1ccc(OC)cc1)N1CCN(c2cc(C)ccc2C)CC1.Cl
InChIInChI=1S/C24H32N6O2.ClH/c1-18-5-6-19(2)22(17-18)28-11-13-29(14-12-28)23(20-7-9-21(32-4)10-8-20)24-25-26-27-30(24)15-16-31-3;/h5-10,17,23H,11-16H2,1-4H3;1H
InChIKeyLKVLDHGUXRFJKX-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 43812267
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 3209284
1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 6603053
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 3209327
1-(2,3-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 3209279
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443517
3-[(R)-[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 28608440
3-[(R)-[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 28503427
1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 7388479
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazine
CID 3209273
1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 3209334
1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 7388443

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride (CID 171668291) is 1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride is COCCn1nnnc1C(c1ccc(OC)cc1)N1CCN(c2cc(C)ccc2C)CC1.Cl.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride?
The InChIKey is LKVLDHGUXRFJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2.ClH/c1-18-5-6-19(2)22(17-18)28-11-13-29(14-12-28)23(20-7-9-21(32-4)10-8-20)24-25-26-27-30(24)15-16-31-3;/h5-10,17,23H,11-16H2,1-4H3;1H.
What are the key properties of 1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride?
1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride has a molecular weight of 473.02 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171668291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).