4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride

C12H22ClNO5 — CID 24842594

IUPAC4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCCOCCN1CCC(OC(C)=O)(C(=O)O)CC1.Cl
InChIInChI=1S/C12H21NO5.ClH/c1-3-17-9-8-13-6-4-12(5-7-13,11(15)16)18-10(2)14;/h3-9H2,1-2H3,(H,15,16);1H
InChIKeyOHJPDLWNFVHCQR-UHFFFAOYSA-N
MW295.76 g/mol
LogP0.93
Rot. Bonds6

About 4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride

4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 24842594) has the molecular formula C12H22ClNO5 and a molecular weight of 295.76 g/mol. Its IUPAC name is 4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID24842594
Molecular FormulaC12H22ClNO5
Molecular Weight295.76 g/mol
Exact Mass295.12
IUPAC Name4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCCOCCN1CCC(OC(C)=O)(C(=O)O)CC1.Cl
InChIInChI=1S/C12H21NO5.ClH/c1-3-17-9-8-13-6-4-12(5-7-13,11(15)16)18-10(2)14;/h3-9H2,1-2H3,(H,15,16);1H
InChIKeyOHJPDLWNFVHCQR-UHFFFAOYSA-N
XLogP0.93
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 50.93
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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Frequently Asked Questions

What is the IUPAC name of 4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride (CID 24842594) is 4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride is CCOCCN1CCC(OC(C)=O)(C(=O)O)CC1.Cl.
What is the InChIKey of 4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is OHJPDLWNFVHCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5.ClH/c1-3-17-9-8-13-6-4-12(5-7-13,11(15)16)18-10(2)14;/h3-9H2,1-2H3,(H,15,16);1H.
What are the key properties of 4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride?
4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 295.76 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyloxy-1-(2-ethoxyethyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 24842594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).