4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid

C12H23NO3 — CID 114431447

IUPAC4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(CCCCO)C(C(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-2-10-5-7-13(6-3-4-8-14)11(9-10)12(15)16/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyHYXPYZAYDSQAQJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.33
Rot. Bonds6

About 4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid

4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid (PubChem CID 114431447) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid
PubChem CID114431447
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid
SMILESCCC1CCN(CCCCO)C(C(=O)O)C1
InChIInChI=1S/C12H23NO3/c1-2-10-5-7-13(6-3-4-8-14)11(9-10)12(15)16/h10-11,14H,2-9H2,1H3,(H,15,16)
InChIKeyHYXPYZAYDSQAQJ-UHFFFAOYSA-N
XLogP1.33
TPSA60.77 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 ≤ 51.33
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

4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid
CID 114431008
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-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-2-carboxylic acid
CID 114431889
4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
CID 114431174
4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
CID 114430884
1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976
1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148
4-ethyl-1-[(1-propyltetrazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 114431580
1-[2-(cyclopentylamino)-2-oxoethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431254

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid (CID 114431447) is 4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid is CCC1CCN(CCCCO)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid?
The InChIKey is HYXPYZAYDSQAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-10-5-7-13(6-3-4-8-14)11(9-10)12(15)16/h10-11,14H,2-9H2,1H3,(H,15,16).
What are the key properties of 4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid?
4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114431447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).