piperidin-1-ium;propanoate

C8H17NO2 — CID 67153763

IUPACpiperidin-1-ium;propanoate
SMILESC1CC[NH2+]CC1.CCC(=O)[O-]
InChIInChI=1S/C5H11N.C3H6O2/c1-2-4-6-5-3-1;1-2-3(4)5/h6H,1-5H2;2H2,1H3,(H,4,5)
InChIKeyQHDUBNMGSDGCKZ-UHFFFAOYSA-N
MW159.23 g/mol
LogP-1.12
Rot. Bonds1

About piperidin-1-ium;propanoate

piperidin-1-ium;propanoate (PubChem CID 67153763) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is piperidin-1-ium;propanoate.

Molecular Properties

Compound Namepiperidin-1-ium;propanoate
PubChem CID67153763
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namepiperidin-1-ium;propanoate
SMILESC1CC[NH2+]CC1.CCC(=O)[O-]
InChIInChI=1S/C5H11N.C3H6O2/c1-2-4-6-5-3-1;1-2-3(4)5/h6H,1-5H2;2H2,1H3,(H,4,5)
InChIKeyQHDUBNMGSDGCKZ-UHFFFAOYSA-N
XLogP-1.12
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze piperidin-1-ium;propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium;propanoate?
The IUPAC name of piperidin-1-ium;propanoate (CID 67153763) is piperidin-1-ium;propanoate.
What is the SMILES notation for piperidin-1-ium;propanoate?
The canonical SMILES for piperidin-1-ium;propanoate is C1CC[NH2+]CC1.CCC(=O)[O-].
What is the InChIKey of piperidin-1-ium;propanoate?
The InChIKey is QHDUBNMGSDGCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H6O2/c1-2-4-6-5-3-1;1-2-3(4)5/h6H,1-5H2;2H2,1H3,(H,4,5).
What are the key properties of piperidin-1-ium;propanoate?
piperidin-1-ium;propanoate has a molecular weight of 159.23 g/mol, XLogP of -1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium;propanoate is sourced from PubChem (CID 67153763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).