1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine

C13H28N2O2 — CID 81093519

IUPAC1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine
SMILESCCOC(CN1CCCCC1CNC)OCC
InChIInChI=1S/C13H28N2O2/c1-4-16-13(17-5-2)11-15-9-7-6-8-12(15)10-14-3/h12-14H,4-11H2,1-3H3
InChIKeyJEZLPMKNWFPCFK-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.46
Rot. Bonds8

About 1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine

1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine (PubChem CID 81093519) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine
PubChem CID81093519
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine
SMILESCCOC(CN1CCCCC1CNC)OCC
InChIInChI=1S/C13H28N2O2/c1-4-16-13(17-5-2)11-15-9-7-6-8-12(15)10-14-3/h12-14H,4-11H2,1-3H3
InChIKeyJEZLPMKNWFPCFK-UHFFFAOYSA-N
XLogP1.46
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(ethoxymethyl)piperidin-2-yl]-N-methylmethanamine
CID 65366865
1-[1-(3-methoxy-2-methylpropyl)piperidin-2-yl]-N-methylmethanamine
CID 116502150
1-[1-(cyclopropylmethyl)piperidin-2-yl]-N-methylmethanamine
CID 62541663
2-methyl-3-[2-(methylaminomethyl)piperidin-1-yl]propanenitrile
CID 63250043
1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 115316928
N-methyl-1-[1-(2-methylidenebutyl)piperidin-2-yl]methanamine
CID 66044070
N-methyl-1-(1-prop-2-enylpiperidin-2-yl)methanamine
CID 62384358
2-[2-(methylaminomethyl)piperidin-1-yl]-1-phenylethanol
CID 55169694
1-[1-(cyclopropylmethoxymethyl)piperidin-2-yl]-N-methylmethanamine
CID 106931143
propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
CID 63249964
N-cyclopropyl-N-ethyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250442
2-ethoxy-3-(2-ethylazepan-1-yl)propan-1-amine
CID 104689096

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine (CID 81093519) is 1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine is CCOC(CN1CCCCC1CNC)OCC.
What is the InChIKey of 1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine?
The InChIKey is JEZLPMKNWFPCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-16-13(17-5-2)11-15-9-7-6-8-12(15)10-14-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine?
1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine has a molecular weight of 244.38 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-diethoxyethyl)piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 81093519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).