1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol

C12H22BrNO — CID 131160785

IUPAC1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol
SMILESCC1C(O)CCCN1CC1(CBr)CCC1
InChIInChI=1S/C12H22BrNO/c1-10-11(15)4-2-7-14(10)9-12(8-13)5-3-6-12/h10-11,15H,2-9H2,1H3
InChIKeyAFJGZSCLYRJYCZ-UHFFFAOYSA-N
MW276.22 g/mol
LogP2.40
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol

1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol (PubChem CID 131160785) has the molecular formula C12H22BrNO and a molecular weight of 276.22 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol
PubChem CID131160785
Molecular FormulaC12H22BrNO
Molecular Weight276.22 g/mol
Exact Mass275.09
IUPAC Name1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol
SMILESCC1C(O)CCCN1CC1(CBr)CCC1
InChIInChI=1S/C12H22BrNO/c1-10-11(15)4-2-7-14(10)9-12(8-13)5-3-6-12/h10-11,15H,2-9H2,1H3
InChIKeyAFJGZSCLYRJYCZ-UHFFFAOYSA-N
XLogP2.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 52.40
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]pyrrolidin-2-yl]methanol
CID 65009034
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-propylpiperidine
CID 83062041
2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol
CID 65009301
(4aR,8aR)-1-[[1-(bromomethyl)cyclohexyl]methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102727759
1-[[1-(bromomethyl)cycloheptyl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319651
1-[[1-(bromomethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidin-3-ol
CID 131067156
1-[[1-(bromomethyl)cyclohexyl]methyl]-2-ethylazepane
CID 104691341
2-[[1-(bromomethyl)cyclobutyl]methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935200
1-[[1-(bromomethyl)cyclopentyl]methyl]piperidin-4-ol
CID 65001565
3-[1-[[1-(bromomethyl)cyclopropyl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 65013619
2-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943596
2-methyl-1-(3-sulfanylpropyl)piperidin-3-ol
CID 130785480

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol?
The IUPAC name of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol (CID 131160785) is 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol?
The canonical SMILES for 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol is CC1C(O)CCCN1CC1(CBr)CCC1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol?
The InChIKey is AFJGZSCLYRJYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO/c1-10-11(15)4-2-7-14(10)9-12(8-13)5-3-6-12/h10-11,15H,2-9H2,1H3.
What are the key properties of 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol?
1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol has a molecular weight of 276.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclobutyl]methyl]-2-methylpiperidin-3-ol is sourced from PubChem (CID 131160785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).