1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine

C27H30N6O2 — CID 1446396

IUPAC1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine
SMILESCOc1ccc(OC)c([C@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C27H30N6O2/c1-34-23-13-14-25(35-2)24(19-23)26(27-28-29-30-33(27)20-21-9-5-3-6-10-21)32-17-15-31(16-18-32)22-11-7-4-8-12-22/h3-14,19,26H,15-18,20H2,1-2H3/t26-/m1/s1
InChIKeyHAGJLAALJOYIHH-AREMUKBSSA-N
MW470.58 g/mol
LogP3.65
Rot. Bonds8

About 1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine

1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine (PubChem CID 1446396) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine
PubChem CID1446396
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine
SMILESCOc1ccc(OC)c([C@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C27H30N6O2/c1-34-23-13-14-25(35-2)24(19-23)26(27-28-29-30-33(27)20-21-9-5-3-6-10-21)32-17-15-31(16-18-32)22-11-7-4-8-12-22/h3-14,19,26H,15-18,20H2,1-2H3/t26-/m1/s1
InChIKeyHAGJLAALJOYIHH-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

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Related Compounds

1-[(R)-(2,5-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 28673564
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1446248
1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 3210017
1-[(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-prop-2-enylpiperazine;hydrochloride
CID 171668407
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine
CID 3209960
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1446260
1-[(2,5-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 652512
1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3209737
1-[(S)-(2,5-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
CID 7383122
1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 3209730
1-[(R)-(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446292
1-[(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 3209721

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine (CID 1446396) is 1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine is COc1ccc(OC)c([C@H](c2nnnn2Cc2ccccc2)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine?
The InChIKey is HAGJLAALJOYIHH-AREMUKBSSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-34-23-13-14-25(35-2)24(19-23)26(27-28-29-30-33(27)20-21-9-5-3-6-10-21)32-17-15-31(16-18-32)22-11-7-4-8-12-22/h3-14,19,26H,15-18,20H2,1-2H3/t26-/m1/s1.
What are the key properties of 1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine?
1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine 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)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 1446396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).