4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine

C13H17N5O — CID 62349228

IUPAC4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine
SMILESc1ccc(-n2nnnc2OCC2CCNCC2)cc1
InChIInChI=1S/C13H17N5O/c1-2-4-12(5-3-1)18-13(15-16-17-18)19-10-11-6-8-14-9-7-11/h1-5,11,14H,6-10H2
InChIKeyXBDJGDPOUVEKCX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.04
Rot. Bonds4

About 4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine

4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine (PubChem CID 62349228) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine
PubChem CID62349228
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine
SMILESc1ccc(-n2nnnc2OCC2CCNCC2)cc1
InChIInChI=1S/C13H17N5O/c1-2-4-12(5-3-1)18-13(15-16-17-18)19-10-11-6-8-14-9-7-11/h1-5,11,14H,6-10H2
InChIKeyXBDJGDPOUVEKCX-UHFFFAOYSA-N
XLogP1.04
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine?
The IUPAC name of 4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine (CID 62349228) is 4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine.
What is the SMILES notation for 4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine?
The canonical SMILES for 4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine is c1ccc(-n2nnnc2OCC2CCNCC2)cc1.
What is the InChIKey of 4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine?
The InChIKey is XBDJGDPOUVEKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-4-12(5-3-1)18-13(15-16-17-18)19-10-11-6-8-14-9-7-11/h1-5,11,14H,6-10H2.
What are the key properties of 4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine?
4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine has a molecular weight of 259.31 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenyltetrazol-5-yl)oxymethyl]piperidine is sourced from PubChem (CID 62349228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).