1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine

C28H32N6O2 — CID 51625873

IUPAC1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C28H32N6O2/c1-35-25-14-13-24(19-26(25)36-2)27(28-29-30-31-34(28)21-23-11-7-4-8-12-23)33-17-15-32(16-18-33)20-22-9-5-3-6-10-22/h3-14,19,27H,15-18,20-21H2,1-2H3/t27-/m1/s1
InChIKeyHZXFRMYQZWHBBQ-HHHXNRCGSA-N
MW484.60 g/mol
LogP3.65
Rot. Bonds9

About 1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine

1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 51625873) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine
PubChem CID51625873
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1OC
InChIInChI=1S/C28H32N6O2/c1-35-25-14-13-24(19-26(25)36-2)27(28-29-30-31-34(28)21-23-11-7-4-8-12-23)33-17-15-32(16-18-33)20-22-9-5-3-6-10-22/h3-14,19,27H,15-18,20-21H2,1-2H3/t27-/m1/s1
InChIKeyHZXFRMYQZWHBBQ-HHHXNRCGSA-N
XLogP3.65
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-benzyl-4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine
CID 1446262
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 3208984
1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 3209730
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine;hydrochloride
CID 171668399
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 171668401
1-benzyl-4-[(3,4-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171668241
2-[(S)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1433685
1-benzyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 3209973
1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3209737
1-[(S)-(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 7206217
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 7396387
1-[(S)-(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazine
CID 1449160

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine (CID 51625873) is 1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine is COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1OC.
What is the InChIKey of 1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is HZXFRMYQZWHBBQ-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-35-25-14-13-24(19-26(25)36-2)27(28-29-30-31-34(28)21-23-11-7-4-8-12-23)33-17-15-32(16-18-33)20-22-9-5-3-6-10-22/h3-14,19,27H,15-18,20-21H2,1-2H3/t27-/m1/s1.
What are the key properties of 1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine?
1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine has a molecular weight of 484.60 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 51625873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).