4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine

C13H26BrNO2 — CID 106457800

IUPAC4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine
SMILESCC(C)COCCN1CCC(OCCBr)CC1
InChIInChI=1S/C13H26BrNO2/c1-12(2)11-16-10-8-15-6-3-13(4-7-15)17-9-5-14/h12-13H,3-11H2,1-2H3
InChIKeyYPDNKNDZUIYEHW-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.53
Rot. Bonds8

About 4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine

4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine (PubChem CID 106457800) has the molecular formula C13H26BrNO2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine.

Molecular Properties

Compound Name4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine
PubChem CID106457800
Molecular FormulaC13H26BrNO2
Molecular Weight308.26 g/mol
Exact Mass307.11
IUPAC Name4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine
SMILESCC(C)COCCN1CCC(OCCBr)CC1
InChIInChI=1S/C13H26BrNO2/c1-12(2)11-16-10-8-15-6-3-13(4-7-15)17-9-5-14/h12-13H,3-11H2,1-2H3
InChIKeyYPDNKNDZUIYEHW-UHFFFAOYSA-N
XLogP2.53
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.53
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-(2-propoxyethyl)piperidine
CID 106457799
4-bromo-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457766
1-(2-bromoethyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
CID 106457754
4-(2-bromoethoxy)-1-propylpiperidine
CID 82691689
4-(1-bromoethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106838360
4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine
CID 82691461
N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine
CID 106453510
3-bromo-4-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457919
4-(2-bromoethoxy)-1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 82684444
4-(bromomethyl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80676918
1-[2-(2-methylpropoxy)ethyl]-4-pyrrolidin-1-ylazepane
CID 122139895
2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine
CID 106450826

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine?
The IUPAC name of 4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine (CID 106457800) is 4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine.
What is the SMILES notation for 4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine?
The canonical SMILES for 4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine is CC(C)COCCN1CCC(OCCBr)CC1.
What is the InChIKey of 4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine?
The InChIKey is YPDNKNDZUIYEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO2/c1-12(2)11-16-10-8-15-6-3-13(4-7-15)17-9-5-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine?
4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine has a molecular weight of 308.26 g/mol, XLogP of 2.53, 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-(2-methylpropoxy)ethyl]piperidine is sourced from PubChem (CID 106457800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).