2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine

C12H27N3O2 — CID 66222136

IUPAC2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCOC(CN1CCN(CCN(C)C)CC1)OC
InChIInChI=1S/C12H27N3O2/c1-13(2)5-6-14-7-9-15(10-8-14)11-12(16-3)17-4/h12H,5-11H2,1-4H3
InChIKeyGDBVPBYGLGMBPN-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.22
Rot. Bonds7

About 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine

2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 66222136) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID66222136
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCOC(CN1CCN(CCN(C)C)CC1)OC
InChIInChI=1S/C12H27N3O2/c1-13(2)5-6-14-7-9-15(10-8-14)11-12(16-3)17-4/h12H,5-11H2,1-4H3
InChIKeyGDBVPBYGLGMBPN-UHFFFAOYSA-N
XLogP-0.22
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]ethanol
CID 66222329
1-bromo-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-ol
CID 112561591
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
1-cyclopropyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanamine
CID 63913476
2-[4-[2-(bromomethyl)-3-methylbutyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 65012025
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62888034
3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butan-1-ol
CID 64899649
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine
CID 104745994
2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine
CID 155177393
1-(2,2-dimethoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 66223203
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid
CID 56716645

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine (CID 66222136) is 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine is COC(CN1CCN(CCN(C)C)CC1)OC.
What is the InChIKey of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is GDBVPBYGLGMBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-13(2)5-6-14-7-9-15(10-8-14)11-12(16-3)17-4/h12H,5-11H2,1-4H3.
What are the key properties of 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 245.37 g/mol, XLogP of -0.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 66222136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).