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

C25H24F2N6 — CID 1446363

IUPAC1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN([C@H](c3ccccc3F)c3nnnn3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H24F2N6/c26-20-10-12-21(13-11-20)31-14-16-32(17-15-31)24(22-8-4-5-9-23(22)27)25-28-29-30-33(25)18-19-6-2-1-3-7-19/h1-13,24H,14-18H2/t24-/m1/s1
InChIKeyJUPGPAVEHHWFIF-XMMPIXPASA-N
MW446.51 g/mol
LogP3.91
Rot. Bonds6

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

1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine (PubChem CID 1446363) has the molecular formula C25H24F2N6 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
PubChem CID1446363
Molecular FormulaC25H24F2N6
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN([C@H](c3ccccc3F)c3nnnn3Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H24F2N6/c26-20-10-12-21(13-11-20)31-14-16-32(17-15-31)24(22-8-4-5-9-23(22)27)25-28-29-30-33(25)18-19-6-2-1-3-7-19/h1-13,24H,14-18H2/t24-/m1/s1
InChIKeyJUPGPAVEHHWFIF-XMMPIXPASA-N
XLogP3.91
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(S)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1446365
1-[(2-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 3210017
1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
CID 3209891
1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine
CID 1446070
1-[(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 3210126
1-(4-fluorophenyl)-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 1438452
3-[(1-benzyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 3175171
3-[(S)-(1-benzyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1148340
1-[(S)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(2-fluorophenyl)piperazine
CID 1446149
1-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1446669
1-[(R)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 1447363
1-[(S)-(2-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 1447361

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine (CID 1446363) is 1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine is Fc1ccc(N2CCN([C@H](c3ccccc3F)c3nnnn3Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is JUPGPAVEHHWFIF-XMMPIXPASA-N. The full InChI is InChI=1S/C25H24F2N6/c26-20-10-12-21(13-11-20)31-14-16-32(17-15-31)24(22-8-4-5-9-23(22)27)25-28-29-30-33(25)18-19-6-2-1-3-7-19/h1-13,24H,14-18H2/t24-/m1/s1.
What are the key properties of 1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine?
1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 446.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-benzyltetrazol-5-yl)-(2-fluorophenyl)methyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 1446363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).