1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine

C18H36N2O — CID 139602231

IUPAC1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine
SMILESCC1CCCN(CCOCCN2CCCC(C)C2C)C1C
InChIInChI=1S/C18H36N2O/c1-15-7-5-9-19(17(15)3)11-13-21-14-12-20-10-6-8-16(2)18(20)4/h15-18H,5-14H2,1-4H3
InChIKeyYJHZIZIELPMAJS-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.24
Rot. Bonds6

About 1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine

1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine (PubChem CID 139602231) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine
PubChem CID139602231
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine
SMILESCC1CCCN(CCOCCN2CCCC(C)C2C)C1C
InChIInChI=1S/C18H36N2O/c1-15-7-5-9-19(17(15)3)11-13-21-14-12-20-10-6-8-16(2)18(20)4/h15-18H,5-14H2,1-4H3
InChIKeyYJHZIZIELPMAJS-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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Related Compounds

4-[[1-(2-Methylpropyl)piperidin-4-yl]methyl]morpholine
CID 47053722
4-(4-Methylcyclohexyl)morpholine
CID 870789
4-(2-Methyl-7-morpholin-4-ylheptyl)morpholine
CID 15370618
4-(4,4-Dimethyl-7-morpholin-4-ylheptyl)morpholine
CID 11098562
4-(3,4-Dimethyl-6-morpholin-4-ylhexyl)morpholine
CID 15370627
Ethane;4-(4-methylcyclohexyl)morpholine;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345540
2-[[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 171598429
2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine
CID 171598745
4-[(1-Tert-butylpiperidin-4-yl)methyl]-4-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 172129305
4-Fluoro-1-(2-methoxyethyl)-4-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 172252012
4,4-Difluoro-1-propan-2-ylpiperidine;ethane;4-(2-methylpropyl)morpholine
CID 177030560
4-(3-Methylcyclohexyl)morpholine
CID 45927896

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine?
The IUPAC name of 1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine (CID 139602231) is 1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine.
What is the SMILES notation for 1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine?
The canonical SMILES for 1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine is CC1CCCN(CCOCCN2CCCC(C)C2C)C1C.
What is the InChIKey of 1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine?
The InChIKey is YJHZIZIELPMAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-15-7-5-9-19(17(15)3)11-13-21-14-12-20-10-6-8-16(2)18(20)4/h15-18H,5-14H2,1-4H3.
What are the key properties of 1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine?
1-[2-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-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-(2,3-dimethylpiperidin-1-yl)ethoxy]ethyl]-2,3-dimethylpiperidine is sourced from PubChem (CID 139602231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).