4-(2-bromoethyl)piperidine;ethyl formate

C10H20BrNO2 — CID 174593815

IUPAC4-(2-bromoethyl)piperidine;ethyl formate
SMILESBrCCC1CCNCC1.CCOC=O
InChIInChI=1S/C7H14BrN.C3H6O2/c8-4-1-7-2-5-9-6-3-7;1-2-5-3-4/h7,9H,1-6H2;3H,2H2,1H3
InChIKeyCGDMJFCBCQINCI-UHFFFAOYSA-N
MW266.18 g/mol
LogP1.95
Rot. Bonds4

About 4-(2-bromoethyl)piperidine;ethyl formate

4-(2-bromoethyl)piperidine;ethyl formate (PubChem CID 174593815) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 4-(2-bromoethyl)piperidine;ethyl formate.

Molecular Properties

Compound Name4-(2-bromoethyl)piperidine;ethyl formate
PubChem CID174593815
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Name4-(2-bromoethyl)piperidine;ethyl formate
SMILESBrCCC1CCNCC1.CCOC=O
InChIInChI=1S/C7H14BrN.C3H6O2/c8-4-1-7-2-5-9-6-3-7;1-2-5-3-4/h7,9H,1-6H2;3H,2H2,1H3
InChIKeyCGDMJFCBCQINCI-UHFFFAOYSA-N
XLogP1.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-bromoethyl)piperidine;ethyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl formate;piperidine-4-carbaldehyde
CID 158189584
ethyl formate;piperidin-4-ol
CID 158820537
piperidin-4-ylmethyl formate;hydrochloride
CID 174937459
bicyclo[2.2.2]octane;ethyl formate
CID 174816311
ethane;4-propylpiperidine
CID 142071399
calcium;ethyl formate;dichloride
CID 174827324
cyclopropanol;ethyl formate
CID 157277391
cyclobutanamine;ethyl formate;hydrochloride
CID 174777526
lithium;ethyl formate;hydroxide
CID 174914217
carbon dioxide;4-propylpiperidine
CID 162153913
ethyl formate;7-oxabicyclo[2.2.1]heptane
CID 143754176
formyl (2S)-2-ethoxy-2-hydroxy-6-piperidin-4-ylhexanoate
CID 174338168

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)piperidine;ethyl formate?
The IUPAC name of 4-(2-bromoethyl)piperidine;ethyl formate (CID 174593815) is 4-(2-bromoethyl)piperidine;ethyl formate.
What is the SMILES notation for 4-(2-bromoethyl)piperidine;ethyl formate?
The canonical SMILES for 4-(2-bromoethyl)piperidine;ethyl formate is BrCCC1CCNCC1.CCOC=O.
What is the InChIKey of 4-(2-bromoethyl)piperidine;ethyl formate?
The InChIKey is CGDMJFCBCQINCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrN.C3H6O2/c8-4-1-7-2-5-9-6-3-7;1-2-5-3-4/h7,9H,1-6H2;3H,2H2,1H3.
What are the key properties of 4-(2-bromoethyl)piperidine;ethyl formate?
4-(2-bromoethyl)piperidine;ethyl formate has a molecular weight of 266.18 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)piperidine;ethyl formate is sourced from PubChem (CID 174593815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).