1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine

C24H32N6O3 — CID 51625687

IUPAC1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCOCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C24H32N6O3/c1-31-17-16-30-24(25-26-27-30)23(19-8-10-21(32-2)11-9-19)29-14-12-28(13-15-29)18-20-6-4-5-7-22(20)33-3/h4-11,23H,12-18H2,1-3H3/t23-/m1/s1
InChIKeyZWBHILBIGJHZPP-HSZRJFAPSA-N
MW452.56 g/mol
LogP2.24
Rot. Bonds10

About 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine

1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine (PubChem CID 51625687) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
PubChem CID51625687
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCOCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C24H32N6O3/c1-31-17-16-30-24(25-26-27-30)23(19-8-10-21(32-2)11-9-19)29-14-12-28(13-15-29)18-20-6-4-5-7-22(20)33-3/h4-11,23H,12-18H2,1-3H3/t23-/m1/s1
InChIKeyZWBHILBIGJHZPP-HSZRJFAPSA-N
XLogP2.24
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 3209327
1-benzyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 3209274
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazine
CID 3209273
1-benzyl-4-[(S)-(4-ethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
CID 51625692
1-benzyl-4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine
CID 1446262
1-benzyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 3209350
1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 7388479
1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 6603053
1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 7391642
1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 7388443
1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 3209334
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 3209284

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine (CID 51625687) is 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine is COCCn1nnnc1[C@@H](c1ccc(OC)cc1)N1CCN(Cc2ccccc2OC)CC1.
What is the InChIKey of 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The InChIKey is ZWBHILBIGJHZPP-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-31-17-16-30-24(25-26-27-30)23(19-8-10-21(32-2)11-9-19)29-14-12-28(13-15-29)18-20-6-4-5-7-22(20)33-3/h4-11,23H,12-18H2,1-3H3/t23-/m1/s1.
What are the key properties of 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine?
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine has a molecular weight of 452.56 g/mol, XLogP of 2.24, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 51625687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).