[4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone

C12H20BrNO2 — CID 82701553

IUPAC[4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCC(OCCBr)CC1
InChIInChI=1S/C12H20BrNO2/c13-6-9-16-11-4-7-14(8-5-11)12(15)10-2-1-3-10/h10-11H,1-9H2
InChIKeyMEOAZGGMVXFIME-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.19
Rot. Bonds4

About [4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone

[4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone (PubChem CID 82701553) has the molecular formula C12H20BrNO2 and a molecular weight of 290.20 g/mol. Its IUPAC name is [4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone
PubChem CID82701553
Molecular FormulaC12H20BrNO2
Molecular Weight290.20 g/mol
Exact Mass289.07
IUPAC Name[4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone
SMILESO=C(C1CCC1)N1CCC(OCCBr)CC1
InChIInChI=1S/C12H20BrNO2/c13-6-9-16-11-4-7-14(8-5-11)12(15)10-2-1-3-10/h10-11H,1-9H2
InChIKeyMEOAZGGMVXFIME-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.19
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

[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107184264
1-[4-(2-bromoethoxy)piperidin-1-yl]-2-cycloheptylethanone
CID 114459118
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 82701710
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylthiolan-2-yl)methanone
CID 82701555
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
4-(4-propoxyazepane-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120673560
cyclobutyl-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725421
[4-(2-bromoethoxy)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672782
(3-aminocyclopentyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696222
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methyloxolan-2-yl)methanone
CID 82701323
3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 81140994

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone (CID 82701553) is [4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone is O=C(C1CCC1)N1CCC(OCCBr)CC1.
What is the InChIKey of [4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone?
The InChIKey is MEOAZGGMVXFIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO2/c13-6-9-16-11-4-7-14(8-5-11)12(15)10-2-1-3-10/h10-11H,1-9H2.
What are the key properties of [4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone?
[4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone has a molecular weight of 290.20 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 82701553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).