1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine

C22H23ClN6O2 — CID 645594

IUPAC1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine
SMILESClc1ccccc1C(c1nnnn1Cc1ccco1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C22H23ClN6O2/c23-20-8-2-1-7-19(20)21(22-24-25-26-29(22)16-18-6-4-14-31-18)28-11-9-27(10-12-28)15-17-5-3-13-30-17/h1-8,13-14,21H,9-12,15-16H2
InChIKeyGXTQAAKFDCZZOW-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.47
Rot. Bonds7

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

1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine (PubChem CID 645594) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine
PubChem CID645594
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine
SMILESClc1ccccc1C(c1nnnn1Cc1ccco1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C22H23ClN6O2/c23-20-8-2-1-7-19(20)21(22-24-25-26-29(22)16-18-6-4-14-31-18)28-11-9-27(10-12-28)15-17-5-3-13-30-17/h1-8,13-14,21H,9-12,15-16H2
InChIKeyGXTQAAKFDCZZOW-UHFFFAOYSA-N
XLogP3.47
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride
CID 53314104
1-[(S)-(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1447390
1-benzyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 51685827
1-ethyl-4-[(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3210124
1-[(4-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 3210088
1-[(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 3210126
1-[1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(furan-2-ylmethyl)piperazine chloride
CID 53313923
1-[(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 648515
1-[(S)-(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685587
1-ethyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 51686019
1-benzyl-4-[(R)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 51625813
1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 1447363

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine?
The IUPAC name of 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine (CID 645594) is 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine?
The canonical SMILES for 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine is Clc1ccccc1C(c1nnnn1Cc1ccco1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine?
The InChIKey is GXTQAAKFDCZZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c23-20-8-2-1-7-19(20)21(22-24-25-26-29(22)16-18-6-4-14-31-18)28-11-9-27(10-12-28)15-17-5-3-13-30-17/h1-8,13-14,21H,9-12,15-16H2.
What are the key properties of 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine?
1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine has a molecular weight of 438.92 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine is sourced from PubChem (CID 645594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).