1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol

C10H21BrN2O — CID 112561270

IUPAC1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol
SMILESCN(C)C1CCN(CC(O)CBr)CC1
InChIInChI=1S/C10H21BrN2O/c1-12(2)9-3-5-13(6-4-9)8-10(14)7-11/h9-10,14H,3-8H2,1-2H3
InChIKeyGETYOVULHFQVCB-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.77
Rot. Bonds4

About 1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol

1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol (PubChem CID 112561270) has the molecular formula C10H21BrN2O and a molecular weight of 265.19 g/mol. Its IUPAC name is 1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol
PubChem CID112561270
Molecular FormulaC10H21BrN2O
Molecular Weight265.19 g/mol
Exact Mass264.08
IUPAC Name1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol
SMILESCN(C)C1CCN(CC(O)CBr)CC1
InChIInChI=1S/C10H21BrN2O/c1-12(2)9-3-5-13(6-4-9)8-10(14)7-11/h9-10,14H,3-8H2,1-2H3
InChIKeyGETYOVULHFQVCB-UHFFFAOYSA-N
XLogP0.77
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine
CID 65000171
1-bromo-3-[3-(diethylamino)pyrrolidin-1-yl]propan-2-ol
CID 112561640
1-cyclopropyl-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 63908245
1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol
CID 112561591
1-(3-bromo-2-hydroxypropyl)-3-methylpiperidin-4-ol
CID 114681046
1-(3-azabicyclo[3.2.0]heptan-3-yl)-3-bromopropan-2-ol
CID 164659265
1-(3-bromo-2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 112561820
(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-2-ol
CID 103935148
1-amino-4-[4-(dimethylamino)piperidin-1-yl]butan-2-ol
CID 64821111
(2R)-1-[4-[2,2-difluoroethyl(methyl)amino]piperidin-1-yl]butan-2-ol
CID 75380936
1-bromo-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 112561351
1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine
CID 43585962

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol (CID 112561270) is 1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol is CN(C)C1CCN(CC(O)CBr)CC1.
What is the InChIKey of 1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol?
The InChIKey is GETYOVULHFQVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2O/c1-12(2)9-3-5-13(6-4-9)8-10(14)7-11/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol?
1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol has a molecular weight of 265.19 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 112561270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).