[4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone

C19H16F4N6O2 — CID 71791623

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
SMILESO=C(c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H16F4N6O2/c20-13-1-3-14(4-2-13)27-9-11-28(12-10-27)18(30)17-24-26-29(25-17)15-5-7-16(8-6-15)31-19(21,22)23/h1-8H,9-12H2
InChIKeySVWCHIREVDPFAV-UHFFFAOYSA-N
MW436.37 g/mol
LogP2.66
Rot. Bonds4

About [4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone (PubChem CID 71791623) has the molecular formula C19H16F4N6O2 and a molecular weight of 436.37 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
PubChem CID71791623
Molecular FormulaC19H16F4N6O2
Molecular Weight436.37 g/mol
Exact Mass436.13
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
SMILESO=C(c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H16F4N6O2/c20-13-1-3-14(4-2-13)27-9-11-28(12-10-27)18(30)17-24-26-29(25-17)15-5-7-16(8-6-15)31-19(21,22)23/h1-8H,9-12H2
InChIKeySVWCHIREVDPFAV-UHFFFAOYSA-N
XLogP2.66
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
CID 71791619
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 87029924
[2-(4-fluorophenyl)tetrazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 71791476
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
CID 86821428
[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-[4-(trifluoromethoxy)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 135844027
2-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]tetrazole-5-carboxamide
CID 71792227
N-(2,2-dimethoxyethyl)-2-[4-(trifluoromethoxy)phenyl]tetrazole-5-carboxamide
CID 71791629
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide
CID 86969214
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392830
(2S)-2,3,3,3-tetrafluoro-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-1-one
CID 92905725
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone (CID 71791623) is [4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone is O=C(c1nnn(-c2ccc(OC(F)(F)F)cc2)n1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone?
The InChIKey is SVWCHIREVDPFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N6O2/c20-13-1-3-14(4-2-13)27-9-11-28(12-10-27)18(30)17-24-26-29(25-17)15-5-7-16(8-6-15)31-19(21,22)23/h1-8H,9-12H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone has a molecular weight of 436.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone is sourced from PubChem (CID 71791623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).