2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol

C11H25N3O — CID 122495081

IUPAC2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol
SMILESCN(CCO)CCCN1CCN(C)CC1
InChIInChI=1S/C11H25N3O/c1-12(10-11-15)4-3-5-14-8-6-13(2)7-9-14/h15H,3-11H2,1-2H3
InChIKeyDZRBIQNEGNLTKH-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.45
Rot. Bonds6

About 2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol

2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol (PubChem CID 122495081) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol
PubChem CID122495081
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol
SMILESCN(CCO)CCCN1CCN(C)CC1
InChIInChI=1S/C11H25N3O/c1-12(10-11-15)4-3-5-14-8-6-13(2)7-9-14/h15H,3-11H2,1-2H3
InChIKeyDZRBIQNEGNLTKH-UHFFFAOYSA-N
XLogP-0.45
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
[4-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenyl]methanol
CID 110009684
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
N,N-dimethylmethanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 159296161
2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol
CID 82853700
6-(4-methyl-1,4-diazepan-1-yl)hexan-1-ol
CID 107704779
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine
CID 139401057
N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 145302362
1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane
CID 166169560

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol?
The IUPAC name of 2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol (CID 122495081) is 2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol is CN(CCO)CCCN1CCN(C)CC1.
What is the InChIKey of 2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol?
The InChIKey is DZRBIQNEGNLTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-12(10-11-15)4-3-5-14-8-6-13(2)7-9-14/h15H,3-11H2,1-2H3.
What are the key properties of 2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol?
2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol has a molecular weight of 215.34 g/mol, XLogP of -0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol is sourced from PubChem (CID 122495081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).