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

C15H19N5O2 — CID 4879859

IUPACethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C15H19N5O2/c1-2-22-14(21)12-8-10-19(11-9-12)15-16-17-18-20(15)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyGDSCUGOWHVOUFD-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.44
Rot. Bonds4

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

ethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate (PubChem CID 4879859) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is ethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate
PubChem CID4879859
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Nameethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C15H19N5O2/c1-2-22-14(21)12-8-10-19(11-9-12)15-16-17-18-20(15)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyGDSCUGOWHVOUFD-UHFFFAOYSA-N
XLogP1.44
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate (CID 4879859) is ethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of ethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate?
The InChIKey is GDSCUGOWHVOUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-2-22-14(21)12-8-10-19(11-9-12)15-16-17-18-20(15)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3.
What are the key properties of ethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate?
ethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylate is sourced from PubChem (CID 4879859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).