4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine

C12H24BrNO2 — CID 106457799

IUPAC4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine
SMILESCCCOCCN1CCC(OCCBr)CC1
InChIInChI=1S/C12H24BrNO2/c1-2-9-15-11-8-14-6-3-12(4-7-14)16-10-5-13/h12H,2-11H2,1H3
InChIKeyMZMWNKIVOJICRU-UHFFFAOYSA-N
MW294.23 g/mol
LogP2.29
Rot. Bonds8

About 4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine

4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine (PubChem CID 106457799) has the molecular formula C12H24BrNO2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine.

Molecular Properties

Compound Name4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine
PubChem CID106457799
Molecular FormulaC12H24BrNO2
Molecular Weight294.23 g/mol
Exact Mass293.10
IUPAC Name4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine
SMILESCCCOCCN1CCC(OCCBr)CC1
InChIInChI=1S/C12H24BrNO2/c1-2-9-15-11-8-14-6-3-12(4-7-14)16-10-5-13/h12H,2-11H2,1H3
InChIKeyMZMWNKIVOJICRU-UHFFFAOYSA-N
XLogP2.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromoethoxy)-1-propylpiperidine
CID 82691689
4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457800
ethane;4-propoxy-1-propylpiperidine
CID 156867917
4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine
CID 82691461
4-[2-(2-ethoxyethoxy)ethoxy]-1-propylpiperidine
CID 156885045
1-(5-propoxypentyl)piperidin-4-amine
CID 18002201
N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 106453503
2-[2-(4-ethoxypiperidin-1-yl)ethoxy]ethanamine
CID 79478299
2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106453449
1-(2-bromoethyl)-4-ethoxypiperidine
CID 61288374
ethane;4-(2-methoxyethoxy)-1-propylpiperidine
CID 156885231
4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine
CID 156885066

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine?
The IUPAC name of 4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine (CID 106457799) is 4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine.
What is the SMILES notation for 4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine?
The canonical SMILES for 4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine is CCCOCCN1CCC(OCCBr)CC1.
What is the InChIKey of 4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine?
The InChIKey is MZMWNKIVOJICRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO2/c1-2-9-15-11-8-14-6-3-12(4-7-14)16-10-5-13/h12H,2-11H2,1H3.
What are the key properties of 4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine?
4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine has a molecular weight of 294.23 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine is sourced from PubChem (CID 106457799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).