1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol

C13H26BrNO — CID 81102837

IUPAC1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CC(CBr)C(C)(C)C)CC1
InChIInChI=1S/C13H26BrNO/c1-12(2,3)11(9-14)10-15-7-5-13(4,16)6-8-15/h11,16H,5-10H2,1-4H3
InChIKeyBZARAYRLUQIVIM-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.89
Rot. Bonds3

About 1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol

1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol (PubChem CID 81102837) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol
PubChem CID81102837
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CC(CBr)C(C)(C)C)CC1
InChIInChI=1S/C13H26BrNO/c1-12(2,3)11(9-14)10-15-7-5-13(4,16)6-8-15/h11,16H,5-10H2,1-4H3
InChIKeyBZARAYRLUQIVIM-UHFFFAOYSA-N
XLogP2.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.89
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-hydroxypropyl)-4-methylpiperidin-4-ol
CID 112561820
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4-methylpiperidin-4-ol
CID 103366417
1-(2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 81103491
ethyl 4-[2-(bromomethyl)-3,3-dimethylbutyl]piperazine-1-carboxylate
CID 107877601
1-(2-hydroxybutyl)-4-methylpiperidin-4-ol
CID 80703400
1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-ethylazepane
CID 65015031
3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanamide
CID 81116171
4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine
CID 65015766
1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,4-dimethoxypyrrolidine
CID 103537335
4-methyl-1-(2-methylbutyl)azepan-4-ol
CID 107407764
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylazepan-4-ol
CID 107407626
1-(3-amino-2,2-dimethylpropyl)-4-methylpiperidin-4-ol
CID 81115275

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol (CID 81102837) is 1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol is CC1(O)CCN(CC(CBr)C(C)(C)C)CC1.
What is the InChIKey of 1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol?
The InChIKey is BZARAYRLUQIVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-12(2,3)11(9-14)10-15-7-5-13(4,16)6-8-15/h11,16H,5-10H2,1-4H3.
What are the key properties of 1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol?
1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol has a molecular weight of 292.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81102837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).