piperidin-4-ylazanium formate

C6H14N2O2 — CID 140644965

IUPACpiperidin-4-ylazanium formate
SMILESO=C[O-].[NH3+]C1CCNCC1
InChIInChI=1S/C5H12N2.CH2O2/c6-5-1-3-7-4-2-5;2-1-3/h5,7H,1-4,6H2;1H,(H,2,3)
InChIKeyKSHSLMPUYGBOSL-UHFFFAOYSA-N
MW146.19 g/mol
LogP-2.65
Rot. Bonds

About piperidin-4-ylazanium formate

piperidin-4-ylazanium formate (PubChem CID 140644965) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is piperidin-4-ylazanium formate.

Molecular Properties

Compound Namepiperidin-4-ylazanium formate
PubChem CID140644965
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Namepiperidin-4-ylazanium formate
SMILESO=C[O-].[NH3+]C1CCNCC1
InChIInChI=1S/C5H12N2.CH2O2/c6-5-1-3-7-4-2-5;2-1-3/h5,7H,1-4,6H2;1H,(H,2,3)
InChIKeyKSHSLMPUYGBOSL-UHFFFAOYSA-N
XLogP-2.65
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-2.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4-ylazanium formate?
The IUPAC name of piperidin-4-ylazanium formate (CID 140644965) is piperidin-4-ylazanium formate.
What is the SMILES notation for piperidin-4-ylazanium formate?
The canonical SMILES for piperidin-4-ylazanium formate is O=C[O-].[NH3+]C1CCNCC1.
What is the InChIKey of piperidin-4-ylazanium formate?
The InChIKey is KSHSLMPUYGBOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.CH2O2/c6-5-1-3-7-4-2-5;2-1-3/h5,7H,1-4,6H2;1H,(H,2,3).
What are the key properties of piperidin-4-ylazanium formate?
piperidin-4-ylazanium formate has a molecular weight of 146.19 g/mol, XLogP of -2.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylazanium formate is sourced from PubChem (CID 140644965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).