1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine

C22H27ClN6O2 — CID 645629

IUPAC1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOCCn1nnnc1C(c1ccccc1Cl)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H27ClN6O2/c1-30-16-15-29-22(24-25-26-29)21(17-7-3-4-8-18(17)23)28-13-11-27(12-14-28)19-9-5-6-10-20(19)31-2/h3-10,21H,11-16H2,1-2H3
InChIKeyGOCXGKDRGNUYOB-UHFFFAOYSA-N
MW442.95 g/mol
LogP2.89
Rot. Bonds8

About 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine

1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 645629) has the molecular formula C22H27ClN6O2 and a molecular weight of 442.95 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID645629
Molecular FormulaC22H27ClN6O2
Molecular Weight442.95 g/mol
Exact Mass442.19
IUPAC Name1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOCCn1nnnc1C(c1ccccc1Cl)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H27ClN6O2/c1-30-16-15-29-22(24-25-26-29)21(17-7-3-4-8-18(17)23)28-13-11-27(12-14-28)19-9-5-6-10-20(19)31-2/h3-10,21H,11-16H2,1-2H3
InChIKeyGOCXGKDRGNUYOB-UHFFFAOYSA-N
XLogP2.89
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-(2-methoxy-phenyl)-piperazine
CID 646026
1-(4-Methoxy-phenyl)-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 646404
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
1-{(4-Methoxy-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 653553
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-4-phenyl-piperazine
CID 654297
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(4-chloro-phenyl)-methyl]-4-(2-methoxy-phenyl)-piperazine
CID 655487
1-[(2-Methoxyphenyl)-[1-(2-phenylethyl)-5-tetrazolyl]methyl]-4-phenylpiperazine
CID 656175
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-phenyl-piperazine
CID 3208764
1-[(2-Methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 3209579
{4-[[4-(2-Methoxy-phenyl)-piperazin-1-yl]-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-phenyl}-dimethyl-amine
CID 3210523
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2-methoxy-phenyl)-methyl]-4-(4-methoxy-phenyl)-piperazine
CID 6602630
1-{(2-Chloro-phenyl)-[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-methyl}-4-methyl-piperazine
CID 6602644

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 645629) is 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine is COCCn1nnnc1C(c1ccccc1Cl)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is GOCXGKDRGNUYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O2/c1-30-16-15-29-22(24-25-26-29)21(17-7-3-4-8-18(17)23)28-13-11-27(12-14-28)19-9-5-6-10-20(19)31-2/h3-10,21H,11-16H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 442.95 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 645629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).