ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate

C12H23NO4 — CID 78994229

IUPACethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CCOCCO
InChIInChI=1S/C12H23NO4/c1-2-17-12(15)11-5-3-4-6-13(11)7-9-16-10-8-14/h11,14H,2-10H2,1H3
InChIKeyPJLWFVFBDJEMKK-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.41
Rot. Bonds7

About ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate

ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate (PubChem CID 78994229) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate
PubChem CID78994229
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nameethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CCOCCO
InChIInChI=1S/C12H23NO4/c1-2-17-12(15)11-5-3-4-6-13(11)7-9-16-10-8-14/h11,14H,2-10H2,1H3
InChIKeyPJLWFVFBDJEMKK-UHFFFAOYSA-N
XLogP0.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
CID 62028361
1-[2-(2-hydroxyethoxy)ethyl]-N-methylpiperidine-2-carboxamide
CID 111439529
tert-butyl (2R)-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylate
CID 80709141
ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280651
ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate
CID 78915222
1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 14482400
ethyl 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-2-carboxylate
CID 115281474
ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
CID 115280563
1-(2-propoxyethyl)azepane-2-carboxylic acid
CID 106454718
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
CID 115538768
ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate (CID 78994229) is ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1CCOCCO.
What is the InChIKey of ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate?
The InChIKey is PJLWFVFBDJEMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-2-17-12(15)11-5-3-4-6-13(11)7-9-16-10-8-14/h11,14H,2-10H2,1H3.
What are the key properties of ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate?
ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate is sourced from PubChem (CID 78994229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).