piperidin-1-ium formate

C6H13NO2 — CID 11170990

IUPACpiperidin-1-ium formate
SMILESC1CC[NH2+]CC1.O=C[O-]
InChIInChI=1S/C5H11N.CH2O2/c1-2-4-6-5-3-1;2-1-3/h6H,1-5H2;1H,(H,2,3)
InChIKeyKNPWRSVXYPZCOS-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.90
Rot. Bonds

About piperidin-1-ium formate

piperidin-1-ium formate (PubChem CID 11170990) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is piperidin-1-ium formate.

Molecular Properties

Compound Namepiperidin-1-ium formate
PubChem CID11170990
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Namepiperidin-1-ium formate
SMILESC1CC[NH2+]CC1.O=C[O-]
InChIInChI=1S/C5H11N.CH2O2/c1-2-4-6-5-3-1;2-1-3/h6H,1-5H2;1H,(H,2,3)
InChIKeyKNPWRSVXYPZCOS-UHFFFAOYSA-N
XLogP-1.90
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.90
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 formate?
The IUPAC name of piperidin-1-ium formate (CID 11170990) is piperidin-1-ium formate.
What is the SMILES notation for piperidin-1-ium formate?
The canonical SMILES for piperidin-1-ium formate is C1CC[NH2+]CC1.O=C[O-].
What is the InChIKey of piperidin-1-ium formate?
The InChIKey is KNPWRSVXYPZCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.CH2O2/c1-2-4-6-5-3-1;2-1-3/h6H,1-5H2;1H,(H,2,3).
What are the key properties of piperidin-1-ium formate?
piperidin-1-ium formate has a molecular weight of 131.18 g/mol, XLogP of -1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium formate is sourced from PubChem (CID 11170990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).