piperidin-1-ium-1-ylmethyl formate

C7H14NO2+ — CID 140763665

IUPACpiperidin-1-ium-1-ylmethyl formate
SMILESO=COC[NH+]1CCCCC1
InChIInChI=1S/C7H13NO2/c9-7-10-6-8-4-2-1-3-5-8/h7H,1-6H2/p+1
InChIKeyFXZXPPPIZCAHRO-UHFFFAOYSA-O
MW144.19 g/mol
LogP-0.81
Rot. Bonds3

About piperidin-1-ium-1-ylmethyl formate

piperidin-1-ium-1-ylmethyl formate (PubChem CID 140763665) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is piperidin-1-ium-1-ylmethyl formate.

Molecular Properties

Compound Namepiperidin-1-ium-1-ylmethyl formate
PubChem CID140763665
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Namepiperidin-1-ium-1-ylmethyl formate
SMILESO=COC[NH+]1CCCCC1
InChIInChI=1S/C7H13NO2/c9-7-10-6-8-4-2-1-3-5-8/h7H,1-6H2/p+1
InChIKeyFXZXPPPIZCAHRO-UHFFFAOYSA-O
XLogP-0.81
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium-1-ylmethyl formate?
The IUPAC name of piperidin-1-ium-1-ylmethyl formate (CID 140763665) is piperidin-1-ium-1-ylmethyl formate.
What is the SMILES notation for piperidin-1-ium-1-ylmethyl formate?
The canonical SMILES for piperidin-1-ium-1-ylmethyl formate is O=COC[NH+]1CCCCC1.
What is the InChIKey of piperidin-1-ium-1-ylmethyl formate?
The InChIKey is FXZXPPPIZCAHRO-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO2/c9-7-10-6-8-4-2-1-3-5-8/h7H,1-6H2/p+1.
What are the key properties of piperidin-1-ium-1-ylmethyl formate?
piperidin-1-ium-1-ylmethyl formate has a molecular weight of 144.19 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium-1-ylmethyl formate is sourced from PubChem (CID 140763665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).