2-(4-methylpiperidin-1-yl)ethoxymethanetriamine

C9H22N4O — CID 71080676

IUPAC2-(4-methylpiperidin-1-yl)ethoxymethanetriamine
SMILESCC1CCN(CCOC(N)(N)N)CC1
InChIInChI=1S/C9H22N4O/c1-8-2-4-13(5-3-8)6-7-14-9(10,11)12/h8H,2-7,10-12H2,1H3
InChIKeyJMKPPBXUBBJIFJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.78
Rot. Bonds4

About 2-(4-methylpiperidin-1-yl)ethoxymethanetriamine

2-(4-methylpiperidin-1-yl)ethoxymethanetriamine (PubChem CID 71080676) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)ethoxymethanetriamine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)ethoxymethanetriamine
PubChem CID71080676
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name2-(4-methylpiperidin-1-yl)ethoxymethanetriamine
SMILESCC1CCN(CCOC(N)(N)N)CC1
InChIInChI=1S/C9H22N4O/c1-8-2-4-13(5-3-8)6-7-14-9(10,11)12/h8H,2-7,10-12H2,1H3
InChIKeyJMKPPBXUBBJIFJ-UHFFFAOYSA-N
XLogP-0.78
TPSA90.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
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

4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 59691701
2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
4-methyl-1-[2-(4-methylcyclohexyl)ethyl]piperidine
CID 129059218
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
2-methyl-4-(4-methylpiperidin-1-yl)butan-2-ol
CID 79316334
7-(4-methylpiperidin-1-yl)heptan-1-amine
CID 28596817
2-methyl-5-(4-methylpiperidin-1-yl)pentan-1-amine
CID 82010619
(3R)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-amine
CID 103939668
1-[2-[2-(3,5-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2270730
1-(2-fluoroethyl)-4-methylpiperidine;propane
CID 177031790

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)ethoxymethanetriamine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)ethoxymethanetriamine (CID 71080676) is 2-(4-methylpiperidin-1-yl)ethoxymethanetriamine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)ethoxymethanetriamine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)ethoxymethanetriamine is CC1CCN(CCOC(N)(N)N)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)ethoxymethanetriamine?
The InChIKey is JMKPPBXUBBJIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-8-2-4-13(5-3-8)6-7-14-9(10,11)12/h8H,2-7,10-12H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)ethoxymethanetriamine?
2-(4-methylpiperidin-1-yl)ethoxymethanetriamine has a molecular weight of 202.30 g/mol, XLogP of -0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)ethoxymethanetriamine is sourced from PubChem (CID 71080676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).