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

C25H28N6O2 — CID 51685827

IUPAC1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1[C@H](c1nnnn1Cc1ccco1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H28N6O2/c1-32-23-12-6-5-11-22(23)24(25-26-27-28-31(25)19-21-10-7-17-33-21)30-15-13-29(14-16-30)18-20-8-3-2-4-9-20/h2-12,17,24H,13-16,18-19H2,1H3/t24-/m1/s1
InChIKeyGPOIFBSKJCWJAD-XMMPIXPASA-N
MW444.54 g/mol
LogP3.23
Rot. Bonds8

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

1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine (PubChem CID 51685827) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
PubChem CID51685827
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1[C@H](c1nnnn1Cc1ccco1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H28N6O2/c1-32-23-12-6-5-11-22(23)24(25-26-27-28-31(25)19-21-10-7-17-33-21)30-15-13-29(14-16-30)18-20-8-3-2-4-9-20/h2-12,17,24H,13-16,18-19H2,1H3/t24-/m1/s1
InChIKeyGPOIFBSKJCWJAD-XMMPIXPASA-N
XLogP3.23
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 3209730
1-benzyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 3209350
1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine
CID 645594
1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride
CID 53314104
1-(2,3-dimethylphenyl)-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 1447284
1-[(R)-(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446292
1-[(R)-(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-prop-2-enylpiperazine
CID 1446311
1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3209737
1-ethyl-4-[(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3210124
1-[(2,5-dimethoxyphenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 652512
1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668406
1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine chloride
CID 53313923

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine (CID 51685827) is 1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine is COc1ccccc1[C@H](c1nnnn1Cc1ccco1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine?
The InChIKey is GPOIFBSKJCWJAD-XMMPIXPASA-N. The full InChI is InChI=1S/C25H28N6O2/c1-32-23-12-6-5-11-22(23)24(25-26-27-28-31(25)19-21-10-7-17-33-21)30-15-13-29(14-16-30)18-20-8-3-2-4-9-20/h2-12,17,24H,13-16,18-19H2,1H3/t24-/m1/s1.
What are the key properties of 1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine?
1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine has a molecular weight of 444.54 g/mol, XLogP of 3.23, 8 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-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 51685827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).