4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid

C12H23NO3 — CID 114431008

IUPAC4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(CCCOC)C(C(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-3-10-5-7-13(6-4-8-16-2)11(9-10)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyPLYPADSKQMCISX-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds6

About 4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid

4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid (PubChem CID 114431008) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid
PubChem CID114431008
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(CCCOC)C(C(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-3-10-5-7-13(6-4-8-16-2)11(9-10)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyPLYPADSKQMCISX-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid
CID 114431447
4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-2-carboxylic acid
CID 114431889
4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid
CID 114431232
4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid
CID 107007902
1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431248
4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
CID 114431174
[4-ethyl-1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 103353150
CID 175766010
CID 175766010
4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
CID 114430884
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114430849
4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid
CID 114430814

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid (CID 114431008) is 4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid is CCC1CCN(CCCOC)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid?
The InChIKey is PLYPADSKQMCISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-10-5-7-13(6-4-8-16-2)11(9-10)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid?
4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114431008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).