ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide

C10H18BrNO3 — CID 141202253

IUPACethyl 4-acetylpiperidine-4-carboxylate;hydrobromide
SMILESBr.CCOC(=O)C1(C(C)=O)CCNCC1
InChIInChI=1S/C10H17NO3.BrH/c1-3-14-9(13)10(8(2)12)4-6-11-7-5-10;/h11H,3-7H2,1-2H3;1H
InChIKeyNYWJRULUHJILTL-UHFFFAOYSA-N
MW280.16 g/mol
LogP1.09
Rot. Bonds3

About ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide

ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide (PubChem CID 141202253) has the molecular formula C10H18BrNO3 and a molecular weight of 280.16 g/mol. Its IUPAC name is ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide.

Molecular Properties

Compound Nameethyl 4-acetylpiperidine-4-carboxylate;hydrobromide
PubChem CID141202253
Molecular FormulaC10H18BrNO3
Molecular Weight280.16 g/mol
Exact Mass279.05
IUPAC Nameethyl 4-acetylpiperidine-4-carboxylate;hydrobromide
SMILESBr.CCOC(=O)C1(C(C)=O)CCNCC1
InChIInChI=1S/C10H17NO3.BrH/c1-3-14-9(13)10(8(2)12)4-6-11-7-5-10;/h11H,3-7H2,1-2H3;1H
InChIKeyNYWJRULUHJILTL-UHFFFAOYSA-N
XLogP1.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-acetylpiperidine-4-carboxylate
CID 79001872
4-ethoxycarbonylpiperidine-4-carboxylic acid;hydrobromide
CID 141202240
ethyl 2-acetylspiro[3.4]octane-2-carboxylate
CID 79560430
ethyl 4-acetyl-1-ethylpiperidine-4-carboxylate
CID 141202232
ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate
CID 124710720
ethyl 4-(difluoromethyl)piperidine-4-carboxylate
CID 135383160
1-O'-(2-aminoethyl) 1-O-ethyl cyclopropane-1,1-dicarboxylate
CID 151131649
diethyl 1-methylpiperidine-4,4-dicarboxylate
CID 121001338
ethyl 4-(2-methoxyethyl)piperidine-4-carboxylate
CID 56753969
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
CID 71756654
1-O-tert-butyl 4-O-ethyl 4-acetylpiperidine-1,4-dicarboxylate
CID 82124676
ethyl 4-azidopiperidine-4-carboxylate
CID 150250309

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide?
The IUPAC name of ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide (CID 141202253) is ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide.
What is the SMILES notation for ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide?
The canonical SMILES for ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide is Br.CCOC(=O)C1(C(C)=O)CCNCC1.
What is the InChIKey of ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide?
The InChIKey is NYWJRULUHJILTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3.BrH/c1-3-14-9(13)10(8(2)12)4-6-11-7-5-10;/h11H,3-7H2,1-2H3;1H.
What are the key properties of ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide?
ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide has a molecular weight of 280.16 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide is sourced from PubChem (CID 141202253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).