ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate

C14H18N6O2 — CID 1253040

IUPACethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C14H18N6O2/c1-2-22-14(21)19-10-8-18(9-11-19)13-15-16-17-20(13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyALNNNZJVXPGRQY-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.94
Rot. Bonds3

About ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate

ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate (PubChem CID 1253040) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate
PubChem CID1253040
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Nameethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C14H18N6O2/c1-2-22-14(21)19-10-8-18(9-11-19)13-15-16-17-20(13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyALNNNZJVXPGRQY-UHFFFAOYSA-N
XLogP0.94
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.94
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-phenyl-4-(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)piperazine
CID 710950
4-(1-phenyl-1H-tetrazol-5-yl)morpholine
CID 1281750
1-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 2549799
4-(1-Phenyltetrazol-5-yl)piperazin-2-one
CID 2540535
Ethyl 4-[4-(1H-1,2,3,4-tetrazol-1-YL)benzenesulfonyl]piperazine-1-carboxylate
CID 24793570
2,6-Dimethyl-4-(1-phenyltetrazol-5-yl)morpholine
CID 2928885
methyl 4-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)piperazine-1-carboxylate
CID 30858285
1-Cyclopentyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 40011772
Methyl 4-[3-(1-phenyltetrazol-5-yl)propyl]piperazine-1-carboxylate
CID 51086868
1-(2-Methoxyethyl)-4-[3-(1-phenyltetrazol-5-yl)propyl]piperazine
CID 53534390
1-(2-Ethoxyethyl)-4-[3-(1-phenyltetrazol-5-yl)propyl]piperazine
CID 53590620

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate (CID 1253040) is ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate?
The InChIKey is ALNNNZJVXPGRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-2-22-14(21)19-10-8-18(9-11-19)13-15-16-17-20(13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3.
What are the key properties of ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate?
ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate has a molecular weight of 302.34 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-phenyltetrazol-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 1253040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).