ethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate

C15H19FN6O2 — CID 30858080

IUPACethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN6O2/c1-2-24-15(23)21-8-6-20(7-9-21)11-14-17-18-19-22(14)13-5-3-4-12(16)10-13/h3-5,10H,2,6-9,11H2,1H3
InChIKeyBFBBATOUCDPBBW-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.08
Rot. Bonds4

About ethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate

ethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate (PubChem CID 30858080) has the molecular formula C15H19FN6O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is ethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate
PubChem CID30858080
Molecular FormulaC15H19FN6O2
Molecular Weight334.35 g/mol
Exact Mass334.16
IUPAC Nameethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN6O2/c1-2-24-15(23)21-8-6-20(7-9-21)11-14-17-18-19-22(14)13-5-3-4-12(16)10-13/h3-5,10H,2,6-9,11H2,1H3
InChIKeyBFBBATOUCDPBBW-UHFFFAOYSA-N
XLogP1.08
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1-phenyl-1H-tetraazol-5-yl)methyl]morpholine
CID 3029444
1-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 2549799
4-(5-Morpholin-4-ylmethyl-tetrazol-1-yl)-phenylamine
CID 3184571
ethyl 4-(1-phenyl-1H-tetraazol-5-yl)-1-piperazinecarboxylate
CID 1253040
4-[(1-{4-[4-(2-fluorophenyl)-1-piperazinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 24817149
5-((1E)-2-piperidylvinyl)-1-(4-fluorophenyl)-1,2,3,4-tetraazole
CID 5716495
1-Piperazinecarboxylic acid, 4-(1-methyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)-, ethyl ester
CID 3071562
1-(2-Fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine
CID 857739
1-[1-[(1-Tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 1445081
1-(tert-butyl)-3-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)urea
CID 18566072
ethyl 3-(4-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)piperazine-1-carboxamido)propanoate
CID 29340547
methyl 4-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)piperazine-1-carboxylate
CID 30858285

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate (CID 30858080) is ethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2nnnn2-c2cccc(F)c2)CC1.
What is the InChIKey of ethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate?
The InChIKey is BFBBATOUCDPBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O2/c1-2-24-15(23)21-8-6-20(7-9-21)11-14-17-18-19-22(14)13-5-3-4-12(16)10-13/h3-5,10H,2,6-9,11H2,1H3.
What are the key properties of ethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate?
ethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate has a molecular weight of 334.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 30858080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).