N,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine

C13H28N2O — CID 3087276

IUPACN,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine
SMILESCCN(CC)CCOCC1CCCCN1C
InChIInChI=1S/C13H28N2O/c1-4-15(5-2)10-11-16-12-13-8-6-7-9-14(13)3/h13H,4-12H2,1-3H3
InChIKeyVGHUILWKKACKKA-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.83
Rot. Bonds7

About N,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine

N,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine (PubChem CID 3087276) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine
PubChem CID3087276
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine
SMILESCCN(CC)CCOCC1CCCCN1C
InChIInChI=1S/C13H28N2O/c1-4-15(5-2)10-11-16-12-13-8-6-7-9-14(13)3/h13H,4-12H2,1-3H3
InChIKeyVGHUILWKKACKKA-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine (CID 3087276) is N,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine is CCN(CC)CCOCC1CCCCN1C.
What is the InChIKey of N,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine?
The InChIKey is VGHUILWKKACKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-15(5-2)10-11-16-12-13-8-6-7-9-14(13)3/h13H,4-12H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine?
N,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine has a molecular weight of 228.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(1-methylpiperidin-2-yl)methoxy]ethanamine is sourced from PubChem (CID 3087276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).