1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine

C26H30N6O2 — CID 1447284

IUPAC1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1[C@H](c1nnnn1Cc1ccco1)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C26H30N6O2/c1-19-8-6-11-23(20(19)2)30-13-15-31(16-14-30)25(22-10-4-5-12-24(22)33-3)26-27-28-29-32(26)18-21-9-7-17-34-21/h4-12,17,25H,13-16,18H2,1-3H3/t25-/m1/s1
InChIKeyGYLBLOWIYVUZCT-RUZDIDTESA-N
MW458.57 g/mol
LogP3.85
Rot. Bonds7

About 1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine

1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine (PubChem CID 1447284) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
PubChem CID1447284
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1[C@H](c1nnnn1Cc1ccco1)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C26H30N6O2/c1-19-8-6-11-23(20(19)2)30-13-15-31(16-14-30)25(22-10-4-5-12-24(22)33-3)26-27-28-29-32(26)18-21-9-7-17-34-21/h4-12,17,25H,13-16,18H2,1-3H3/t25-/m1/s1
InChIKeyGYLBLOWIYVUZCT-RUZDIDTESA-N
XLogP3.85
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine
CID 3210107
1-(2,3-dimethylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 3210069
1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 51685827
1-[(2,5-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 652512
1-[(S)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 1447361
1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 1447363
1-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1446669
1-(2,3-dimethylphenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-4-ium
CID 7304028
1-(2,3-dimethylphenyl)-4-[(R)-(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
CID 7388500
1-[(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 3210126
1-[(S)-(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1447390
3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3195752

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine (CID 1447284) is 1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine is COc1ccccc1[C@H](c1nnnn1Cc1ccco1)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine?
The InChIKey is GYLBLOWIYVUZCT-RUZDIDTESA-N. The full InChI is InChI=1S/C26H30N6O2/c1-19-8-6-11-23(20(19)2)30-13-15-31(16-14-30)25(22-10-4-5-12-24(22)33-3)26-27-28-29-32(26)18-21-9-7-17-34-21/h4-12,17,25H,13-16,18H2,1-3H3/t25-/m1/s1.
What are the key properties of 1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine?
1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine has a molecular weight of 458.57 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1447284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).