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

C26H27FN6O — CID 3210017

IUPAC1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine
SMILESCOc1ccc(Cn2nnnc2C(c2ccccc2F)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H27FN6O/c1-34-22-13-11-20(12-14-22)19-33-26(28-29-30-33)25(23-9-5-6-10-24(23)27)32-17-15-31(16-18-32)21-7-3-2-4-8-21/h2-14,25H,15-19H2,1H3
InChIKeyATYROJOGBFCDQB-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.78
Rot. Bonds7

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

1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine (PubChem CID 3210017) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine
PubChem CID3210017
Molecular FormulaC26H27FN6O
Molecular Weight458.54 g/mol
Exact Mass458.22
IUPAC Name1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine
SMILESCOc1ccc(Cn2nnnc2C(c2ccccc2F)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H27FN6O/c1-34-22-13-11-20(12-14-22)19-33-26(28-29-30-33)25(23-9-5-6-10-24(23)27)32-17-15-31(16-18-32)21-7-3-2-4-8-21/h2-14,25H,15-19H2,1H3
InChIKeyATYROJOGBFCDQB-UHFFFAOYSA-N
XLogP3.78
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine
CID 3209960
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1446248
1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1446363
1-[(S)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1446365
1-[(R)-(1-benzyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-4-phenylpiperazine
CID 1446396
1-[(S)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 1447361
1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 1447363
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1446260
1-(4-fluorophenyl)-4-[(4-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209998
1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209982
3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 3183342
1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
CID 3209891

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine (CID 3210017) is 1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine is COc1ccc(Cn2nnnc2C(c2ccccc2F)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine?
The InChIKey is ATYROJOGBFCDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O/c1-34-22-13-11-20(12-14-22)19-33-26(28-29-30-33)25(23-9-5-6-10-24(23)27)32-17-15-31(16-18-32)21-7-3-2-4-8-21/h2-14,25H,15-19H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine?
1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine has a molecular weight of 458.54 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 3210017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).