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

C11H24BrN3O — CID 112561591

IUPAC1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol
SMILESCN(C)CCN1CCN(CC(O)CBr)CC1
InChIInChI=1S/C11H24BrN3O/c1-13(2)3-4-14-5-7-15(8-6-14)10-11(16)9-12/h11,16H,3-10H2,1-2H3
InChIKeyRSJOTIRZJZSUQL-UHFFFAOYSA-N
MW294.24 g/mol
LogP-0.08
Rot. Bonds6

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

1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol (PubChem CID 112561591) has the molecular formula C11H24BrN3O and a molecular weight of 294.24 g/mol. Its IUPAC name is 1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol
PubChem CID112561591
Molecular FormulaC11H24BrN3O
Molecular Weight294.24 g/mol
Exact Mass293.11
IUPAC Name1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol
SMILESCN(C)CCN1CCN(CC(O)CBr)CC1
InChIInChI=1S/C11H24BrN3O/c1-13(2)3-4-14-5-7-15(8-6-14)10-11(16)9-12/h11,16H,3-10H2,1-2H3
InChIKeyRSJOTIRZJZSUQL-UHFFFAOYSA-N
XLogP-0.08
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(bromomethyl)-3-methylbutyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 65012025
1-bromo-3-[4-(dimethylamino)piperidin-1-yl]propan-2-ol
CID 112561270
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 66222136
1-cyclopropyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine
CID 63913476
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentan-2-ol
CID 62888141
3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol
CID 64899649
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
1-(3-bromo-2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 112561820
1-[4-(3-bromo-2-hydroxypropyl)-1,4-diazepan-1-yl]ethanone
CID 112561492
N,N-dimethyl-2-(4-propanimidoylpiperazin-1-yl)ethanamine
CID 63174383
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62888034

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol (CID 112561591) is 1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol is CN(C)CCN1CCN(CC(O)CBr)CC1.
What is the InChIKey of 1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol?
The InChIKey is RSJOTIRZJZSUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrN3O/c1-13(2)3-4-14-5-7-15(8-6-14)10-11(16)9-12/h11,16H,3-10H2,1-2H3.
What are the key properties of 1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol?
1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol has a molecular weight of 294.24 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 112561591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).