1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine

C27H30N6O2 — CID 1446260

IUPAC1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C27H30N6O2/c1-34-24-12-8-22(9-13-24)26(27-28-29-30-33(27)20-21-6-4-3-5-7-21)32-18-16-31(17-19-32)23-10-14-25(35-2)15-11-23/h3-15,26H,16-20H2,1-2H3/t26-/m1/s1
InChIKeySTTOZLUSNXQKAA-AREMUKBSSA-N
MW470.58 g/mol
LogP3.65
Rot. Bonds8

About 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine

1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine (PubChem CID 1446260) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
PubChem CID1446260
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C27H30N6O2/c1-34-24-12-8-22(9-13-24)26(27-28-29-30-33(27)20-21-6-4-3-5-7-21)32-18-16-31(17-19-32)23-10-14-25(35-2)15-11-23/h3-15,26H,16-20H2,1-2H3/t26-/m1/s1
InChIKeySTTOZLUSNXQKAA-AREMUKBSSA-N
XLogP3.65
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1446248
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine
CID 3209960
1-(4-methoxyphenyl)-4-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 1446855
1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209982
1-(4-fluorophenyl)-4-[(4-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209998
1-benzyl-4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine
CID 1446262
2-[4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 6557850
1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1449129
1-[(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 3209721
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 7396387
1-[(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride
CID 171668386
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 3209327

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine (CID 1446260) is 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine is COc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is STTOZLUSNXQKAA-AREMUKBSSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-34-24-12-8-22(9-13-24)26(27-28-29-30-33(27)20-21-6-4-3-5-7-21)32-18-16-31(17-19-32)23-10-14-25(35-2)15-11-23/h3-15,26H,16-20H2,1-2H3/t26-/m1/s1.
What are the key properties of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine?
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine has a molecular weight of 470.58 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 1446260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).