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

C27H32N6O3 — CID 3210107

IUPAC1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCOc1ccc(C(c2nnnn2Cc2ccco2)N2CCN(c3cccc(C)c3C)CC2)cc1OC
InChIInChI=1S/C27H32N6O3/c1-19-7-5-9-23(20(19)2)31-12-14-32(15-13-31)26(21-10-11-24(34-3)25(17-21)35-4)27-28-29-30-33(27)18-22-8-6-16-36-22/h5-11,16-17,26H,12-15,18H2,1-4H3
InChIKeyHBAXTDWUFVJPBE-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.86
Rot. Bonds8

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

1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine (PubChem CID 3210107) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine
PubChem CID3210107
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCOc1ccc(C(c2nnnn2Cc2ccco2)N2CCN(c3cccc(C)c3C)CC2)cc1OC
InChIInChI=1S/C27H32N6O3/c1-19-7-5-9-23(20(19)2)31-12-14-32(15-13-31)26(21-10-11-24(34-3)25(17-21)35-4)27-28-29-30-33(27)18-22-8-6-16-36-22/h5-11,16-17,26H,12-15,18H2,1-4H3
InChIKeyHBAXTDWUFVJPBE-UHFFFAOYSA-N
XLogP3.86
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 1447284
1-(2,3-dimethylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 3210069
1-(2,3-dimethylphenyl)-4-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl]piperazin-4-ium
CID 7304028
1-[(2,5-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 652512
1-[(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-(2-fluorophenyl)piperazine;hydrochloride
CID 171668399
1-(2,3-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 3209279
1-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 3210085
1-(4-fluorophenyl)-4-[(S)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 1447272
1-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-methylpiperazine
CID 3210076
1-ethyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 51686019
3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3195752
1-benzyl-4-[(R)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 51625873

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine (CID 3210107) is 1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine is COc1ccc(C(c2nnnn2Cc2ccco2)N2CCN(c3cccc(C)c3C)CC2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is HBAXTDWUFVJPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-19-7-5-9-23(20(19)2)31-12-14-32(15-13-31)26(21-10-11-24(34-3)25(17-21)35-4)27-28-29-30-33(27)18-22-8-6-16-36-22/h5-11,16-17,26H,12-15,18H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine?
1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 488.59 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 3210107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).