ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate

C12H23NO4 — CID 170591642

IUPACethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC(O)OCC)CCNCC1
InChIInChI=1S/C12H23NO4/c1-3-16-10(14)9-12(11(15)17-4-2)5-7-13-8-6-12/h10,13-14H,3-9H2,1-2H3
InChIKeyYDAZEAHOAZVFSI-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.66
Rot. Bonds6

About ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate

ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate (PubChem CID 170591642) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate
PubChem CID170591642
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nameethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC(O)OCC)CCNCC1
InChIInChI=1S/C12H23NO4/c1-3-16-10(14)9-12(11(15)17-4-2)5-7-13-8-6-12/h10,13-14H,3-9H2,1-2H3
InChIKeyYDAZEAHOAZVFSI-UHFFFAOYSA-N
XLogP0.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(2-methoxyethyl)piperidine-4-carboxylate
CID 56753969
ethyl 1-(3-ethoxy-2-hydroxy-3-oxopropyl)cyclopropane-1-carboxylate
CID 155619939
ethyl 4-(2-methoxyethoxymethyl)piperidine-4-carboxylate
CID 70869304
ethyl 4-(difluoromethyl)piperidine-4-carboxylate
CID 135383160
ethyl 4-acetylpiperidine-4-carboxylate
CID 79001872
ethyl 4-butylpiperidine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 18318111
ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide
CID 141202253
4-ethoxycarbonylpiperidine-4-carboxylic acid;hydrobromide
CID 141202240
propyl 4-ethylpiperidine-4-carboxylate
CID 63125915
ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate
CID 124710720
ethyl 4-[(benzhydrylideneamino)methyl]piperidine-4-carboxylate
CID 59322287
ethyl 4-(butan-2-ylamino)piperidine-4-carboxylate
CID 61244108

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate (CID 170591642) is ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate is CCOC(=O)C1(CC(O)OCC)CCNCC1.
What is the InChIKey of ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate?
The InChIKey is YDAZEAHOAZVFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-3-16-10(14)9-12(11(15)17-4-2)5-7-13-8-6-12/h10,13-14H,3-9H2,1-2H3.
What are the key properties of ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate?
ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxy-2-hydroxyethyl)piperidine-4-carboxylate is sourced from PubChem (CID 170591642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).