1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid

C13H15N5O2 — CID 16795117

IUPAC1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C13H15N5O2/c19-12(20)10-6-8-17(9-7-10)13-14-15-16-18(13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,19,20)
InChIKeyLCYXMNVKTRRAIM-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.96
Rot. Bonds3

About 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid

1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 16795117) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid
PubChem CID16795117
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C13H15N5O2/c19-12(20)10-6-8-17(9-7-10)13-14-15-16-18(13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,19,20)
InChIKeyLCYXMNVKTRRAIM-UHFFFAOYSA-N
XLogP0.96
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid (CID 16795117) is 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is LCYXMNVKTRRAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-12(20)10-6-8-17(9-7-10)13-14-15-16-18(13)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,19,20).
What are the key properties of 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid?
1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 273.30 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyltetrazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 16795117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).