1-(2-bromoethyl)-4-methoxypiperidine

C8H16BrNO — CID 61286304

IUPAC1-(2-bromoethyl)-4-methoxypiperidine
SMILESCOC1CCN(CCBr)CC1
InChIInChI=1S/C8H16BrNO/c1-11-8-2-5-10(6-3-8)7-4-9/h8H,2-7H2,1H3
InChIKeySUHUPKDWZLBTPL-UHFFFAOYSA-N
MW222.13 g/mol
LogP1.49
Rot. Bonds3

About 1-(2-bromoethyl)-4-methoxypiperidine

1-(2-bromoethyl)-4-methoxypiperidine (PubChem CID 61286304) has the molecular formula C8H16BrNO and a molecular weight of 222.13 g/mol. Its IUPAC name is 1-(2-bromoethyl)-4-methoxypiperidine.

Molecular Properties

Compound Name1-(2-bromoethyl)-4-methoxypiperidine
PubChem CID61286304
Molecular FormulaC8H16BrNO
Molecular Weight222.13 g/mol
Exact Mass221.04
IUPAC Name1-(2-bromoethyl)-4-methoxypiperidine
SMILESCOC1CCN(CCBr)CC1
InChIInChI=1S/C8H16BrNO/c1-11-8-2-5-10(6-3-8)7-4-9/h8H,2-7H2,1H3
InChIKeySUHUPKDWZLBTPL-UHFFFAOYSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 51.49
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

1-(2-bromoethyl)-4-ethoxypiperidine
CID 61288374
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
1-butyl-4-methoxypiperidine
CID 58602973
4-methoxy-1-pent-4-ynylpiperidine
CID 115872590
(4-methoxypiperidin-1-yl)methanamine
CID 129270206
ethane;1-[2-(1-ethylcyclopropyl)ethyl]-4-methoxypiperidine
CID 171786139
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
1-(2-bromoethyl)-4-methylsulfanylpiperidine
CID 126974921
N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
CID 62422445
N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560572
1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine
CID 66473510
(3S,4S)-1-(2-bromoethyl)-3,4-dimethoxypyrrolidine
CID 57053898

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)-4-methoxypiperidine?
The IUPAC name of 1-(2-bromoethyl)-4-methoxypiperidine (CID 61286304) is 1-(2-bromoethyl)-4-methoxypiperidine.
What is the SMILES notation for 1-(2-bromoethyl)-4-methoxypiperidine?
The canonical SMILES for 1-(2-bromoethyl)-4-methoxypiperidine is COC1CCN(CCBr)CC1.
What is the InChIKey of 1-(2-bromoethyl)-4-methoxypiperidine?
The InChIKey is SUHUPKDWZLBTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO/c1-11-8-2-5-10(6-3-8)7-4-9/h8H,2-7H2,1H3.
What are the key properties of 1-(2-bromoethyl)-4-methoxypiperidine?
1-(2-bromoethyl)-4-methoxypiperidine has a molecular weight of 222.13 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-4-methoxypiperidine is sourced from PubChem (CID 61286304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).