ethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate

C18H25N5O2 — CID 1454750

IUPACethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C18H25N5O2/c1-2-25-18(24)16-9-11-22(12-10-16)14-17-19-20-21-23(17)13-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3
InChIKeyUEMBAMWJVSDYSU-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.69
Rot. Bonds7

About ethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate (PubChem CID 1454750) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
PubChem CID1454750
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Nameethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C18H25N5O2/c1-2-25-18(24)16-9-11-22(12-10-16)14-17-19-20-21-23(17)13-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3
InChIKeyUEMBAMWJVSDYSU-UHFFFAOYSA-N
XLogP1.69
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate (CID 1454750) is ethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2nnnn2CCc2ccccc2)CC1.
What is the InChIKey of ethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate?
The InChIKey is UEMBAMWJVSDYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-25-18(24)16-9-11-22(12-10-16)14-17-19-20-21-23(17)13-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3.
What are the key properties of ethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 1454750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).