2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol

C13H24BrNO — CID 65009301

IUPAC2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CC1(CBr)CCC1
InChIInChI=1S/C13H24BrNO/c14-10-13(6-3-7-13)11-15-8-2-1-4-12(15)5-9-16/h12,16H,1-11H2
InChIKeyKFBDZGNCJYZPQX-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.79
Rot. Bonds5

About 2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol

2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol (PubChem CID 65009301) has the molecular formula C13H24BrNO and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol
PubChem CID65009301
Molecular FormulaC13H24BrNO
Molecular Weight290.25 g/mol
Exact Mass289.10
IUPAC Name2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CC1(CBr)CCC1
InChIInChI=1S/C13H24BrNO/c14-10-13(6-3-7-13)11-15-8-2-1-4-12(15)5-9-16/h12,16H,1-11H2
InChIKeyKFBDZGNCJYZPQX-UHFFFAOYSA-N
XLogP2.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine
CID 83062041
[1-[[1-(bromomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]methanol
CID 65009034
3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 65013619
2-[1-[[1-(propylaminomethyl)cyclopentyl]methyl]piperidin-2-yl]ethanol
CID 62261936
1-[[1-(bromomethyl)cyclohexyl]methyl]-2-ethylazepane
CID 104691341
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol
CID 62390771
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
[1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]piperidin-2-yl]methanol
CID 62259143
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol
CID 131160785
[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 83062160
6-[2-(2-hydroxyethyl)piperidin-1-yl]hexan-1-ol
CID 103737919
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol (CID 65009301) is 2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol is OCCC1CCCCN1CC1(CBr)CCC1.
What is the InChIKey of 2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol?
The InChIKey is KFBDZGNCJYZPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c14-10-13(6-3-7-13)11-15-8-2-1-4-12(15)5-9-16/h12,16H,1-11H2.
What are the key properties of 2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol?
2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol has a molecular weight of 290.25 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 65009301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).