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

C22H27FN6O2 — CID 3209376

IUPAC1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOCCn1nnnc1C(c1ccccc1F)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H27FN6O2/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
InChIKeyMSNNGMWVGKHBEX-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.38
Rot. Bonds8

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

1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 3209376) has the molecular formula C22H27FN6O2 and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID3209376
Molecular FormulaC22H27FN6O2
Molecular Weight426.50 g/mol
Exact Mass426.22
IUPAC Name1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOCCn1nnnc1C(c1ccccc1F)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H27FN6O2/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
InChIKeyMSNNGMWVGKHBEX-UHFFFAOYSA-N
XLogP2.38
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.38
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-(1-(4-methoxyphenyl)-1H-tetrazol-5-yl)-2,3,3-trimethyl-1,2,3,4-tetrahydroisoquinoline
CID 4519665
1-(4-Methoxy-phenyl)-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 646404
1-(2-Ethoxy-phenyl)-3-[9-(1-phenethyl-1H-tetrazol-5-ylmethyl)-9-aza-bicyclo[3.3.1]non-3-yl]-urea
CID 647224
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-(4-methoxy-phenyl)-piperazine
CID 648069
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2,5-dimethoxy-phenyl)-methyl]-4-(4-fluoro-phenyl)-piperazine
CID 649079
1-{(2,4-Dimethoxy-phenyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-4-phenyl-piperazine
CID 649413
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 651386
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 3209376) is 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine is COCCn1nnnc1C(c1ccccc1F)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is MSNNGMWVGKHBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O2/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-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 426.50 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 3209376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).