2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate

C10H19NO2 — CID 42232759

IUPAC2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate
SMILESCC(C)(C[NH+]1CCCCC1)C(=O)[O-]
InChIInChI=1S/C10H19NO2/c1-10(2,9(12)13)8-11-6-4-3-5-7-11/h3-8H2,1-2H3,(H,12,13)
InChIKeyRQGDTONFOUBUDX-UHFFFAOYSA-N
MW185.27 g/mol
LogP-1.17
Rot. Bonds3

About 2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate

2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate (PubChem CID 42232759) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate.

Molecular Properties

Compound Name2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate
PubChem CID42232759
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate
SMILESCC(C)(C[NH+]1CCCCC1)C(=O)[O-]
InChIInChI=1S/C10H19NO2/c1-10(2,9(12)13)8-11-6-4-3-5-7-11/h3-8H2,1-2H3,(H,12,13)
InChIKeyRQGDTONFOUBUDX-UHFFFAOYSA-N
XLogP-1.17
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 2,2-dimethyl-3-[(piperidin-4-yl)amino]propanoate
CID 139022432
1-Piperidinepropanoic acid, alpha-methyl-, methyl ester, hydrochloride
CID 177843089
1-Piperidinepropionic acid, hydrochloride
CID 517462
CID 4608507
CID 4608507
3-(4-Methylpiperidin-1-ium-1-yl)propanoate
CID 6965416
Methyl 3-piperidin-1-ium-1-ylpropanoate
CID 5151976
2-Methyl-3-piperidin-1-ium-1-ylpropanoic acid chloride
CID 44666541
2,2-Dimethyl-3-(4-methylpiperazin-1-ium-1-yl)propanoate
CID 28383728
3-(Pentylazaniumyl)propanoate
CID 28830293
3-[(1-Methylpiperidin-4-yl)azaniumyl]propanoate
CID 29020537
3-[Methyl(pentyl)azaniumyl]propanoate
CID 29933558
3-(4-Oxopiperidin-1-ium-1-yl)propanoate
CID 42233131

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate?
The IUPAC name of 2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate (CID 42232759) is 2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate.
What is the SMILES notation for 2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate?
The canonical SMILES for 2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate is CC(C)(C[NH+]1CCCCC1)C(=O)[O-].
What is the InChIKey of 2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate?
The InChIKey is RQGDTONFOUBUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,9(12)13)8-11-6-4-3-5-7-11/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate?
2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate has a molecular weight of 185.27 g/mol, XLogP of -1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-piperidin-1-ium-1-ylpropanoate is sourced from PubChem (CID 42232759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).