2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol

C12H27N3O — CID 82853700

IUPAC2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol
SMILESCCCN(CCO)CCN1CCN(C)CC1
InChIInChI=1S/C12H27N3O/c1-3-4-14(11-12-16)9-10-15-7-5-13(2)6-8-15/h16H,3-12H2,1-2H3
InChIKeyLVGFWBPMIQJXLT-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.06
Rot. Bonds7

About 2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol

2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol (PubChem CID 82853700) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol
PubChem CID82853700
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol
SMILESCCCN(CCO)CCN1CCN(C)CC1
InChIInChI=1S/C12H27N3O/c1-3-4-14(11-12-16)9-10-15-7-5-13(2)6-8-15/h16H,3-12H2,1-2H3
InChIKeyLVGFWBPMIQJXLT-UHFFFAOYSA-N
XLogP-0.06
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-morpholin-4-ylethyl(propyl)amino]ethanol
CID 60692272
N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane
CID 178103648
2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol
CID 82853015
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 82892276
2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol
CID 122495081
2-[2-hydroxyethyl-[2-[methyl(2-piperidin-1-ylethyl)amino]ethyl]amino]ethanol
CID 139832270
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
N-[2-[4-[3-[methoxy(dimethyl)silyl]propyl]piperazin-1-yl]ethyl]-N-propylpropan-1-amine
CID 178023180
1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane
CID 166169560
2-[[2-(4-methylpiperazin-1-yl)ethyl-propylamino]methyl]aniline
CID 82888255
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol (CID 82853700) is 2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol is CCCN(CCO)CCN1CCN(C)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol?
The InChIKey is LVGFWBPMIQJXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-3-4-14(11-12-16)9-10-15-7-5-13(2)6-8-15/h16H,3-12H2,1-2H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol?
2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol has a molecular weight of 229.37 g/mol, XLogP of -0.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol is sourced from PubChem (CID 82853700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).