1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine

C18H36N2O — CID 139602227

IUPAC1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine
SMILESCC1CCN(CCOCCN2CCC(C)CC2C)C(C)C1
InChIInChI=1S/C18H36N2O/c1-15-5-7-19(17(3)13-15)9-11-21-12-10-20-8-6-16(2)14-18(20)4/h15-18H,5-14H2,1-4H3
InChIKeyFYOLIWHOVARXHJ-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.24
Rot. Bonds6

About 1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine

1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine (PubChem CID 139602227) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine
PubChem CID139602227
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine
SMILESCC1CCN(CCOCCN2CCC(C)CC2C)C(C)C1
InChIInChI=1S/C18H36N2O/c1-15-5-7-19(17(3)13-15)9-11-21-12-10-20-8-6-16(2)14-18(20)4/h15-18H,5-14H2,1-4H3
InChIKeyFYOLIWHOVARXHJ-UHFFFAOYSA-N
XLogP3.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.24
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-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine?
The IUPAC name of 1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine (CID 139602227) is 1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine.
What is the SMILES notation for 1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine?
The canonical SMILES for 1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine is CC1CCN(CCOCCN2CCC(C)CC2C)C(C)C1.
What is the InChIKey of 1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine?
The InChIKey is FYOLIWHOVARXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-15-5-7-19(17(3)13-15)9-11-21-12-10-20-8-6-16(2)14-18(20)4/h15-18H,5-14H2,1-4H3.
What are the key properties of 1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine?
1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine has a molecular weight of 296.50 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,4-dimethylpiperidine is sourced from PubChem (CID 139602227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).