[2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone

C12H20BrNO2 — CID 80665862

IUPAC[2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCCCC1CCBr
InChIInChI=1S/C12H20BrNO2/c13-7-6-10-4-1-2-8-14(10)12(15)11-5-3-9-16-11/h10-11H,1-9H2
InChIKeyWFRUAHBHZDFDJP-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.33
Rot. Bonds3

About [2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone

[2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 80665862) has the molecular formula C12H20BrNO2 and a molecular weight of 290.20 g/mol. Its IUPAC name is [2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID80665862
Molecular FormulaC12H20BrNO2
Molecular Weight290.20 g/mol
Exact Mass289.07
IUPAC Name[2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCCCC1CCBr
InChIInChI=1S/C12H20BrNO2/c13-7-6-10-4-1-2-8-14(10)12(15)11-5-3-9-16-11/h10-11H,1-9H2
InChIKeyWFRUAHBHZDFDJP-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.33
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

[2-(2-bromoethyl)piperidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 80665764
3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid
CID 62217275
[2-(methylaminomethyl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 104856232
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 79030400
[2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 61410730
[2-(3-chloropropyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 55185740
2-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]acetic acid
CID 104855615
[2-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119261277
[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56779011
[2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 80676795
[2-(2-bromoethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922727
(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone
CID 110739759

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone (CID 80665862) is [2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCCCC1CCBr.
What is the InChIKey of [2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is WFRUAHBHZDFDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO2/c13-7-6-10-4-1-2-8-14(10)12(15)11-5-3-9-16-11/h10-11H,1-9H2.
What are the key properties of [2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone?
[2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 290.20 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoethyl)piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 80665862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).