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

C19H20F2N6 — CID 43811840

IUPAC1-(2-fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
SMILESFc1ccc(Cn2nnnc2CN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H20F2N6/c20-16-7-5-15(6-8-16)13-27-19(22-23-24-27)14-25-9-11-26(12-10-25)18-4-2-1-3-17(18)21/h1-8H,9-14H2
InChIKeyGPGAAOUIWYRCIB-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.32
Rot. Bonds5

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

1-(2-fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine (PubChem CID 43811840) has the molecular formula C19H20F2N6 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
PubChem CID43811840
Molecular FormulaC19H20F2N6
Molecular Weight370.41 g/mol
Exact Mass370.17
IUPAC Name1-(2-fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
SMILESFc1ccc(Cn2nnnc2CN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H20F2N6/c20-16-7-5-15(6-8-16)13-27-19(22-23-24-27)14-25-9-11-26(12-10-25)18-4-2-1-3-17(18)21/h1-8H,9-14H2
InChIKeyGPGAAOUIWYRCIB-UHFFFAOYSA-N
XLogP2.32
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-((1-benzyl-1H-tetrazol-5-yl)(4-(4-methylpiperazin-1-yl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159636
1-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
1-(4-fluorophenyl)-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine
CID 1448756
(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 646624
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-phenyl-piperazine
CID 647993
4-[(1-tert-butyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-N,N-dimethylaniline
CID 650290
1-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-yl}-3-(2-fluoro-phenyl)-urea
CID 651222
1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-4-phenyl-piperazine
CID 653777
1-Cyclohexyl-4-{1-[1-(4-fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-piperazine
CID 655799

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine (CID 43811840) is 1-(2-fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine is Fc1ccc(Cn2nnnc2CN2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The InChIKey is GPGAAOUIWYRCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6/c20-16-7-5-15(6-8-16)13-27-19(22-23-24-27)14-25-9-11-26(12-10-25)18-4-2-1-3-17(18)21/h1-8H,9-14H2.
What are the key properties of 1-(2-fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine?
1-(2-fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine has a molecular weight of 370.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 43811840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).