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

C22H27FN6O2 — CID 7388443

IUPAC1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOCCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H27FN6O2/c1-30-16-15-29-22(24-25-26-29)21(17-7-9-18(23)10-8-17)28-13-11-27(12-14-28)19-5-3-4-6-20(19)31-2/h3-10,21H,11-16H2,1-2H3/t21-/m1/s1
InChIKeyBEVUWAQWBQXOKS-OAQYLSRUSA-N
MW426.50 g/mol
LogP2.38
Rot. Bonds8

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

1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 7388443) has the molecular formula C22H27FN6O2 and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID7388443
Molecular FormulaC22H27FN6O2
Molecular Weight426.50 g/mol
Exact Mass426.22
IUPAC Name1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOCCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H27FN6O2/c1-30-16-15-29-22(24-25-26-29)21(17-7-9-18(23)10-8-17)28-13-11-27(12-14-28)19-5-3-4-6-20(19)31-2/h3-10,21H,11-16H2,1-2H3/t21-/m1/s1
InChIKeyBEVUWAQWBQXOKS-OAQYLSRUSA-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-(2-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine
CID 7388373
1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 6603053
1-(2-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 7098170
1-(2-fluorophenyl)-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 7098168
1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]-4-(2-methoxyphenyl)piperazine
CID 51685935
1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 7388479
1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171667970
1-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1446669
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 3209327
3-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3187527
1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3209292
1-(2,3-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 3209279

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 7388443) is 1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine is COCCn1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is BEVUWAQWBQXOKS-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27FN6O2/c1-30-16-15-29-22(24-25-26-29)21(17-7-9-18(23)10-8-17)28-13-11-27(12-14-28)19-5-3-4-6-20(19)31-2/h3-10,21H,11-16H2,1-2H3/t21-/m1/s1.
What are the key properties of 1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[(R)-(4-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-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 7388443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).