2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine

C13H27BrN2 — CID 107913841

IUPAC2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1CCCC(CCBr)C1
InChIInChI=1S/C13H27BrN2/c1-3-15(4-2)10-11-16-9-5-6-13(12-16)7-8-14/h13H,3-12H2,1-2H3
InChIKeyYNDZBUBJHZFFID-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.83
Rot. Bonds7

About 2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine

2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine (PubChem CID 107913841) has the molecular formula C13H27BrN2 and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine
PubChem CID107913841
Molecular FormulaC13H27BrN2
Molecular Weight291.28 g/mol
Exact Mass290.14
IUPAC Name2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1CCCC(CCBr)C1
InChIInChI=1S/C13H27BrN2/c1-3-15(4-2)10-11-16-9-5-6-13(12-16)7-8-14/h13H,3-12H2,1-2H3
InChIKeyYNDZBUBJHZFFID-UHFFFAOYSA-N
XLogP2.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromoethyl)-1-pentylpiperidine
CID 80690908
N,N-diethyl-2-(3-methylpiperidin-1-yl)ethanamine
CID 123857151
3-(2-bromoethyl)-1-(2-methylbutyl)piperidine
CID 80691877
3-(2-bromoethyl)-1-(2-methylpentyl)piperidine
CID 80690205
2-[3-(diethylaminomethyl)piperidin-1-yl]ethanamine
CID 14210022
N-[2-[3-(2-aminoethyl)pyrrolidin-1-yl]ethyl]-N-ethylpropan-1-amine
CID 83963240
N,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882
(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-ol
CID 115277606
N-[[1-[2-(diethylamino)ethyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513727
3-(2-bromoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 80690484
2-(1-propylpiperidin-3-yl)ethanol
CID 22987971
3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine (CID 107913841) is 2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine is CCN(CC)CCN1CCCC(CCBr)C1.
What is the InChIKey of 2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine?
The InChIKey is YNDZBUBJHZFFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27BrN2/c1-3-15(4-2)10-11-16-9-5-6-13(12-16)7-8-14/h13H,3-12H2,1-2H3.
What are the key properties of 2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine?
2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine has a molecular weight of 291.28 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromoethyl)piperidin-1-yl]-N,N-diethylethanamine is sourced from PubChem (CID 107913841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).