2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid

C12H23NO3 — CID 106939866

IUPAC2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid
SMILESCC(C)(COCCC1CCCNC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-12(2,11(14)15)9-16-7-5-10-4-3-6-13-8-10/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyPXPGYFNIAZEVTB-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.50
Rot. Bonds6

About 2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid

2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid (PubChem CID 106939866) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid
PubChem CID106939866
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid
SMILESCC(C)(COCCC1CCCNC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-12(2,11(14)15)9-16-7-5-10-4-3-6-13-8-10/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyPXPGYFNIAZEVTB-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589
3-[2-(2-tert-butylsulfonylethoxy)ethyl]piperidine
CID 106726931
3-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethyl]piperidine
CID 55064528
3-[2-(2-propoxyethoxy)ethyl]piperidine;hydrochloride
CID 56830022
3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882
3-[2-(2-butoxyethoxy)ethyl]piperidine
CID 62357528
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
3-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
2-[(3S)-piperidin-3-yl]ethyl 2,2,2-trichloroacetate
CID 86319491
3-[2-(methoxymethoxy)ethyl]piperidine
CID 106938134
(3S)-3-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320862

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid (CID 106939866) is 2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid is CC(C)(COCCC1CCCNC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid?
The InChIKey is PXPGYFNIAZEVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,11(14)15)9-16-7-5-10-4-3-6-13-8-10/h10,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid?
2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid is sourced from PubChem (CID 106939866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).