3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol

C13H29N3O — CID 82889037

IUPAC3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol
SMILESCCC(CCO)CNCCN1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-3-13(4-11-17)12-14-5-6-16-9-7-15(2)8-10-16/h13-14,17H,3-12H2,1-2H3
InChIKeyIKPDGUQVZIKPMP-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.23
Rot. Bonds8

About 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol

3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol (PubChem CID 82889037) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol
PubChem CID82889037
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol
SMILESCCC(CCO)CNCCN1CCN(C)CC1
InChIInChI=1S/C13H29N3O/c1-3-13(4-11-17)12-14-5-6-16-9-7-15(2)8-10-16/h13-14,17H,3-12H2,1-2H3
InChIKeyIKPDGUQVZIKPMP-UHFFFAOYSA-N
XLogP0.23
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]butan-1-amine
CID 82888946
1-(2-ethylhexyl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
CID 111128109
2-[2-(4-methylpiperazin-1-yl)ethylamino]-1-phenylethanol
CID 115279452
2-[[2-(1-methylpyrrolidin-3-yl)ethylamino]methyl]butan-1-ol
CID 115251067
N-(2-bromoethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 46738419
3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol
CID 106932322
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine
CID 61386658
1-(2-ethylbutyl)-2-methyl-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine;hydroiodide
CID 111890828
(3S)-3-(2,2-dimethylpropyl)-8-(4-methylpiperazin-1-yl)octan-1-ol
CID 118887623
ethane;N-methyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 171070522
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol
CID 115250861

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol?
The IUPAC name of 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol (CID 82889037) is 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol is CCC(CCO)CNCCN1CCN(C)CC1.
What is the InChIKey of 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol?
The InChIKey is IKPDGUQVZIKPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-3-13(4-11-17)12-14-5-6-16-9-7-15(2)8-10-16/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol?
3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]pentan-1-ol is sourced from PubChem (CID 82889037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).