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

C22H27FN6O2 — CID 7388479

IUPAC1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
SMILESCOCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN6O2/c1-30-16-15-29-22(24-25-26-29)21(17-3-9-20(31-2)10-4-17)28-13-11-27(12-14-28)19-7-5-18(23)6-8-19/h3-10,21H,11-16H2,1-2H3/t21-/m0/s1
InChIKeyAYCYCFADSZZWHL-NRFANRHFSA-N
MW426.50 g/mol
LogP2.38
Rot. Bonds8

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

1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine (PubChem CID 7388479) has the molecular formula C22H27FN6O2 and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
PubChem CID7388479
Molecular FormulaC22H27FN6O2
Molecular Weight426.50 g/mol
Exact Mass426.22
IUPAC Name1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
SMILESCOCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN6O2/c1-30-16-15-29-22(24-25-26-29)21(17-3-9-20(31-2)10-4-17)28-13-11-27(12-14-28)19-7-5-18(23)6-8-19/h3-10,21H,11-16H2,1-2H3/t21-/m0/s1
InChIKeyAYCYCFADSZZWHL-NRFANRHFSA-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-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 3209284
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 3209327
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazine
CID 3209273
1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209982
1-(4-fluorophenyl)-4-[(4-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209998
1-(2-fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 6603053
1-[(R)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 7388443
1-(4-fluorophenyl)-4-[(S)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 1447272
1-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 3210085
1-ethyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171667970
1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3209292
1-[(R)-(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1449129

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine (CID 7388479) is 1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine is COCCn1nnnc1[C@H](c1ccc(OC)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine?
The InChIKey is AYCYCFADSZZWHL-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27FN6O2/c1-30-16-15-29-22(24-25-26-29)21(17-3-9-20(31-2)10-4-17)28-13-11-27(12-14-28)19-7-5-18(23)6-8-19/h3-10,21H,11-16H2,1-2H3/t21-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine?
1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]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-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 7388479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).