1-methylpiperidin-1-ium;propanoate

C9H19NO2 — CID 68634209

IUPAC1-methylpiperidin-1-ium;propanoate
SMILESCCC(=O)[O-].C[NH+]1CCCCC1
InChIInChI=1S/C6H13N.C3H6O2/c1-7-5-3-2-4-6-7;1-2-3(4)5/h2-6H2,1H3;2H2,1H3,(H,4,5)
InChIKeyIPJNPTYIFNXDQY-UHFFFAOYSA-N
MW173.26 g/mol
LogP-1.17
Rot. Bonds1

About 1-methylpiperidin-1-ium;propanoate

1-methylpiperidin-1-ium;propanoate (PubChem CID 68634209) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-methylpiperidin-1-ium;propanoate.

Molecular Properties

Compound Name1-methylpiperidin-1-ium;propanoate
PubChem CID68634209
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-methylpiperidin-1-ium;propanoate
SMILESCCC(=O)[O-].C[NH+]1CCCCC1
InChIInChI=1S/C6H13N.C3H6O2/c1-7-5-3-2-4-6-7;1-2-3(4)5/h2-6H2,1H3;2H2,1H3,(H,4,5)
InChIKeyIPJNPTYIFNXDQY-UHFFFAOYSA-N
XLogP-1.17
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidinium acetate
CID 3014295
Piperidine, acetate
CID 9793820
N-Hexylhexan-1-aminium acetate
CID 44630082
N-methylpiperidinium trifluoroacetate
CID 67268366
Tributylammoniumacetat
CID 21885809
Diamylammonium Acetate
CID 44630081
Hexyl-dimethylammonium acetate
CID 132888314
N-butyl-N-methylpiperidinium acetate
CID 146019764
Dibutylammonium propanoate
CID 157010740
1-Piperidinepropanoic acid, alpha-methyl-, methyl ester, hydrochloride
CID 177843089
1-Propan-2-ylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67339631
1-Ethylpiperidin-1-ium;2,2,2-trifluoroacetate
CID 67340395

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-1-ium;propanoate?
The IUPAC name of 1-methylpiperidin-1-ium;propanoate (CID 68634209) is 1-methylpiperidin-1-ium;propanoate.
What is the SMILES notation for 1-methylpiperidin-1-ium;propanoate?
The canonical SMILES for 1-methylpiperidin-1-ium;propanoate is CCC(=O)[O-].C[NH+]1CCCCC1.
What is the InChIKey of 1-methylpiperidin-1-ium;propanoate?
The InChIKey is IPJNPTYIFNXDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C3H6O2/c1-7-5-3-2-4-6-7;1-2-3(4)5/h2-6H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of 1-methylpiperidin-1-ium;propanoate?
1-methylpiperidin-1-ium;propanoate has a molecular weight of 173.26 g/mol, XLogP of -1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-1-ium;propanoate is sourced from PubChem (CID 68634209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).