1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine

C17H34N2O — CID 163451498

IUPAC1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine
SMILESCCC1CCN(CCOCCN2CCC(C)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-3-17-6-10-19(11-7-17)13-15-20-14-12-18-8-4-16(2)5-9-18/h16-17H,3-15H2,1-2H3
InChIKeyQHCWESFSOYTGKP-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.86
Rot. Bonds7

About 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine

1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine (PubChem CID 163451498) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine
PubChem CID163451498
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine
SMILESCCC1CCN(CCOCCN2CCC(C)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-3-17-6-10-19(11-7-17)13-15-20-14-12-18-8-4-16(2)5-9-18/h16-17H,3-15H2,1-2H3
InChIKeyQHCWESFSOYTGKP-UHFFFAOYSA-N
XLogP2.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.86
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 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine (CID 163451498) is 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine is CCC1CCN(CCOCCN2CCC(C)CC2)CC1.
What is the InChIKey of 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine?
The InChIKey is QHCWESFSOYTGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-17-6-10-19(11-7-17)13-15-20-14-12-18-8-4-16(2)5-9-18/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine?
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine has a molecular weight of 282.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]-4-methylpiperidine is sourced from PubChem (CID 163451498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).