4-(2-bromoethoxy)-1-propylpiperidine

C10H20BrNO — CID 82691689

IUPAC4-(2-bromoethoxy)-1-propylpiperidine
SMILESCCCN1CCC(OCCBr)CC1
InChIInChI=1S/C10H20BrNO/c1-2-6-12-7-3-10(4-8-12)13-9-5-11/h10H,2-9H2,1H3
InChIKeyUAUXSHTUYFQGQF-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.27
Rot. Bonds5

About 4-(2-bromoethoxy)-1-propylpiperidine

4-(2-bromoethoxy)-1-propylpiperidine (PubChem CID 82691689) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-1-propylpiperidine.

Molecular Properties

Compound Name4-(2-bromoethoxy)-1-propylpiperidine
PubChem CID82691689
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name4-(2-bromoethoxy)-1-propylpiperidine
SMILESCCCN1CCC(OCCBr)CC1
InChIInChI=1S/C10H20BrNO/c1-2-6-12-7-3-10(4-8-12)13-9-5-11/h10H,2-9H2,1H3
InChIKeyUAUXSHTUYFQGQF-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.27
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

ethane;4-propoxy-1-propylpiperidine
CID 156867917
4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine
CID 106457799
ethane;4-(2-methoxyethoxy)-1-propylpiperidine
CID 156885231
4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine
CID 156885066
N-methyl-2-(1-propylpiperidin-4-yl)oxyethanamine
CID 126619941
4-[2-(2-ethoxyethoxy)ethoxy]-1-propylpiperidine
CID 156885045
4-(2-bromoethoxy)-1-(3-fluoropropyl)piperidine
CID 82691461
4-(2-bromoethoxy)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457800
1-(2-bromoethyl)-4-ethoxypiperidine
CID 61288374
1-methyl-4-[(1-propylpiperidin-4-yl)oxymethyl]piperidine
CID 155750999
ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine
CID 156885090
1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine
CID 167191940

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-1-propylpiperidine?
The IUPAC name of 4-(2-bromoethoxy)-1-propylpiperidine (CID 82691689) is 4-(2-bromoethoxy)-1-propylpiperidine.
What is the SMILES notation for 4-(2-bromoethoxy)-1-propylpiperidine?
The canonical SMILES for 4-(2-bromoethoxy)-1-propylpiperidine is CCCN1CCC(OCCBr)CC1.
What is the InChIKey of 4-(2-bromoethoxy)-1-propylpiperidine?
The InChIKey is UAUXSHTUYFQGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-2-6-12-7-3-10(4-8-12)13-9-5-11/h10H,2-9H2,1H3.
What are the key properties of 4-(2-bromoethoxy)-1-propylpiperidine?
4-(2-bromoethoxy)-1-propylpiperidine has a molecular weight of 250.18 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-1-propylpiperidine is sourced from PubChem (CID 82691689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).