2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine

C20H40N2O — CID 139602226

IUPAC2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine
SMILESCC1CCN(CCOCCN2CCC(C)C(C)C2C)C(C)C1C
InChIInChI=1S/C20H40N2O/c1-15-7-9-21(19(5)17(15)3)11-13-23-14-12-22-10-8-16(2)18(4)20(22)6/h15-20H,7-14H2,1-6H3
InChIKeyYPJYRTDLSGVLPR-UHFFFAOYSA-N
MW324.55 g/mol
LogP3.74
Rot. Bonds6

About 2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine

2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine (PubChem CID 139602226) has the molecular formula C20H40N2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine
PubChem CID139602226
Molecular FormulaC20H40N2O
Molecular Weight324.55 g/mol
Exact Mass324.31
IUPAC Name2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine
SMILESCC1CCN(CCOCCN2CCC(C)C(C)C2C)C(C)C1C
InChIInChI=1S/C20H40N2O/c1-15-7-9-21(19(5)17(15)3)11-13-23-14-12-22-10-8-16(2)18(4)20(22)6/h15-20H,7-14H2,1-6H3
InChIKeyYPJYRTDLSGVLPR-UHFFFAOYSA-N
XLogP3.74
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 53.74
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-(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
3-Fluoro-1-[2-methyl-2-[1-(oxetan-3-yl)piperidin-4-yl]propyl]-4-propan-2-ylpiperidine
CID 169564687
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-(2,5-Dimethyl-6-morpholin-4-ylhexyl)morpholine
CID 15370617
4-(2,7-Dimethyl-8-morpholin-4-yloctyl)morpholine
CID 15370619
4-(2-Methyl-9-morpholin-4-ylnonyl)morpholine
CID 15370620

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine?
The IUPAC name of 2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine (CID 139602226) is 2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine.
What is the SMILES notation for 2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine?
The canonical SMILES for 2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine is CC1CCN(CCOCCN2CCC(C)C(C)C2C)C(C)C1C.
What is the InChIKey of 2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine?
The InChIKey is YPJYRTDLSGVLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O/c1-15-7-9-21(19(5)17(15)3)11-13-23-14-12-22-10-8-16(2)18(4)20(22)6/h15-20H,7-14H2,1-6H3.
What are the key properties of 2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine?
2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine has a molecular weight of 324.55 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-1-[2-[2-(2,3,4-trimethylpiperidin-1-yl)ethoxy]ethyl]piperidine is sourced from PubChem (CID 139602226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).