1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol

C10H20BrNO — CID 65000596

IUPAC1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol
SMILESCC(C)(CBr)CN1CCC(O)CC1
InChIInChI=1S/C10H20BrNO/c1-10(2,7-11)8-12-5-3-9(13)4-6-12/h9,13H,3-8H2,1-2H3
InChIKeyKWCOYUAQZRIMAD-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.86
Rot. Bonds3

About 1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol

1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol (PubChem CID 65000596) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol
PubChem CID65000596
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol
SMILESCC(C)(CBr)CN1CCC(O)CC1
InChIInChI=1S/C10H20BrNO/c1-10(2,7-11)8-12-5-3-9(13)4-6-12/h9,13H,3-8H2,1-2H3
InChIKeyKWCOYUAQZRIMAD-UHFFFAOYSA-N
XLogP1.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.86
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-(3-bromo-2,2-dimethylpropyl)-4-methylpiperidine
CID 64999964
1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azepan-4-ol
CID 131923534
1-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 60886320
1-[1-(3-bromo-2,2-dimethylpropyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 65000008
1-[2,2-dimethyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62263335
1-(3-bromo-2,2-dimethylpropyl)-4-propylazepane
CID 64997751
1-[4-(3-bromo-2,2-dimethylpropyl)piperazin-1-yl]ethanone
CID 65000467
1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
1-[2-(hydroxymethyl)-2-methylpentyl]piperidin-4-ol
CID 62272555
1-(3-bromo-2,2-dimethylpropyl)-2,2-dimethylpyrrolidin-3-ol
CID 130658724
4-(3-bromo-2,2-dimethylpropyl)-1,4-oxazepane
CID 64997840
2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal
CID 62277702

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol?
The IUPAC name of 1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol (CID 65000596) is 1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol?
The canonical SMILES for 1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol is CC(C)(CBr)CN1CCC(O)CC1.
What is the InChIKey of 1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol?
The InChIKey is KWCOYUAQZRIMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-10(2,7-11)8-12-5-3-9(13)4-6-12/h9,13H,3-8H2,1-2H3.
What are the key properties of 1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol?
1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol has a molecular weight of 250.18 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,2-dimethylpropyl)piperidin-4-ol is sourced from PubChem (CID 65000596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).