(3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone

C11H18BrNO2 — CID 80660660

IUPAC(3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1CCCC(Br)C1
InChIInChI=1S/C11H18BrNO2/c1-8-10(4-6-15-8)11(14)13-5-2-3-9(12)7-13/h8-10H,2-7H2,1H3
InChIKeyHEGHGOXNWCPNFI-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.80
Rot. Bonds1

About (3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone

(3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone (PubChem CID 80660660) has the molecular formula C11H18BrNO2 and a molecular weight of 276.17 g/mol. Its IUPAC name is (3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
PubChem CID80660660
Molecular FormulaC11H18BrNO2
Molecular Weight276.17 g/mol
Exact Mass275.05
IUPAC Name(3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
SMILESCC1OCCC1C(=O)N1CCCC(Br)C1
InChIInChI=1S/C11H18BrNO2/c1-8-10(4-6-15-8)11(14)13-5-2-3-9(12)7-13/h8-10H,2-7H2,1H3
InChIKeyHEGHGOXNWCPNFI-UHFFFAOYSA-N
XLogP1.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.80
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

(3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 80661058
(3-bromo-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 102962350
1-(2-methyloxolane-3-carbonyl)piperidine-3-carbothioamide
CID 79758803
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79760320
(3-bromopiperidin-1-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 80660679
1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750690
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 103900749
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79750460
(3-hydroxy-3-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 115885938
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79758718
4-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750313

Frequently Asked Questions

What is the IUPAC name of (3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone?
The IUPAC name of (3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone (CID 80660660) is (3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone.
What is the SMILES notation for (3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone?
The canonical SMILES for (3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone is CC1OCCC1C(=O)N1CCCC(Br)C1.
What is the InChIKey of (3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone?
The InChIKey is HEGHGOXNWCPNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2/c1-8-10(4-6-15-8)11(14)13-5-2-3-9(12)7-13/h8-10H,2-7H2,1H3.
What are the key properties of (3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone?
(3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone has a molecular weight of 276.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromopiperidin-1-yl)-(2-methyloxolan-3-yl)methanone is sourced from PubChem (CID 80660660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).