4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine

C14H19N5O — CID 84759605

IUPAC4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine
SMILESc1ccc(OCc2nnnn2CC2CCNCC2)cc1
InChIInChI=1S/C14H19N5O/c1-2-4-13(5-3-1)20-11-14-16-17-18-19(14)10-12-6-8-15-9-7-12/h1-5,12,15H,6-11H2
InChIKeyHQVSIJFFZTXMPU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.25
Rot. Bonds5

About 4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine

4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine (PubChem CID 84759605) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine
PubChem CID84759605
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine
SMILESc1ccc(OCc2nnnn2CC2CCNCC2)cc1
InChIInChI=1S/C14H19N5O/c1-2-4-13(5-3-1)20-11-14-16-17-18-19(14)10-12-6-8-15-9-7-12/h1-5,12,15H,6-11H2
InChIKeyHQVSIJFFZTXMPU-UHFFFAOYSA-N
XLogP1.25
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine?
The IUPAC name of 4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine (CID 84759605) is 4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine is c1ccc(OCc2nnnn2CC2CCNCC2)cc1.
What is the InChIKey of 4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine?
The InChIKey is HQVSIJFFZTXMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-4-13(5-3-1)20-11-14-16-17-18-19(14)10-12-6-8-15-9-7-12/h1-5,12,15H,6-11H2.
What are the key properties of 4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine?
4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine has a molecular weight of 273.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(phenoxymethyl)tetrazol-1-yl]methyl]piperidine is sourced from PubChem (CID 84759605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).