1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine

C22H27FN6 — CID 1446070

IUPAC1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine
SMILESCC(C)[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN6/c1-17(2)21(22-24-25-26-29(22)16-18-6-4-3-5-7-18)28-14-12-27(13-15-28)20-10-8-19(23)9-11-20/h3-11,17,21H,12-16H2,1-2H3/t21-/m1/s1
InChIKeyLXFCHCRZIJSFRJ-OAQYLSRUSA-N
MW394.50 g/mol
LogP3.38
Rot. Bonds6

About 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine

1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine (PubChem CID 1446070) has the molecular formula C22H27FN6 and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine
PubChem CID1446070
Molecular FormulaC22H27FN6
Molecular Weight394.50 g/mol
Exact Mass394.23
IUPAC Name1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine
SMILESCC(C)[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN6/c1-17(2)21(22-24-25-26-29(22)16-18-6-4-3-5-7-18)28-14-12-27(13-15-28)20-10-8-19(23)9-11-20/h3-11,17,21H,12-16H2,1-2H3/t21-/m1/s1
InChIKeyLXFCHCRZIJSFRJ-OAQYLSRUSA-N
XLogP3.38
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-(4-methoxyphenyl)piperazine
CID 1446489
1-[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-(2-methoxyphenyl)piperazine
CID 1446486
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
4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]morpholine
CID 3823345
1-(4-methoxyphenyl)-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
CID 1446788
1-(4-fluorophenyl)-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 3675225
1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine
CID 1446057
1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 3721618
1-(4-fluorophenyl)-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 1438452
1-(4-fluorophenyl)-4-[(1S)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazin-4-ium
CID 7389249
1-(4-fluorophenyl)-4-[(1R)-2-methyl-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine
CID 7388868

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine (CID 1446070) is 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine is CC(C)[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is LXFCHCRZIJSFRJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27FN6/c1-17(2)21(22-24-25-26-29(22)16-18-6-4-3-5-7-18)28-14-12-27(13-15-28)20-10-8-19(23)9-11-20/h3-11,17,21H,12-16H2,1-2H3/t21-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine?
1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 394.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 1446070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).