2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate

C24H46N2O5 — CID 158258538

IUPAC2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCN1CCCCC1.CC(C)(C)C(=O)OCCN1CCOCC1
InChIInChI=1S/C13H25NO2.C11H21NO3/c1-13(2,3)12(15)16-11-7-10-14-8-5-4-6-9-14;1-11(2,3)10(13)15-9-6-12-4-7-14-8-5-12/h4-11H2,1-3H3;4-9H2,1-3H3
InChIKeyGHOWJZDLBQIZDP-UHFFFAOYSA-N
MW442.64 g/mol
LogP3.36
Rot. Bonds7

About 2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate

2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate (PubChem CID 158258538) has the molecular formula C24H46N2O5 and a molecular weight of 442.64 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate
PubChem CID158258538
Molecular FormulaC24H46N2O5
Molecular Weight442.64 g/mol
Exact Mass442.34
IUPAC Name2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCN1CCCCC1.CC(C)(C)C(=O)OCCN1CCOCC1
InChIInChI=1S/C13H25NO2.C11H21NO3/c1-13(2,3)12(15)16-11-7-10-14-8-5-4-6-9-14;1-11(2,3)10(13)15-9-6-12-4-7-14-8-5-12/h4-11H2,1-3H3;4-9H2,1-3H3
InChIKeyGHOWJZDLBQIZDP-UHFFFAOYSA-N
XLogP3.36
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.64
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
3-piperidin-1-ylpropyl N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 71148456
3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 22973017
2-morpholin-4-ylethyl 2-bromo-2-methyl-3-oxobutanoate
CID 162508735
ethane;3-pyrrolidin-1-ylpropyl (NZ)-N-(2,2-dimethyl-1-morpholin-4-ylpropylidene)carbamate
CID 142228089
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
12-pyrrolidin-1-yldodecyl 2,2-difluoropropanoate
CID 58341569
methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate
CID 157124650
2-morpholin-4-ylethyl cyclohexanecarboxylate
CID 21150298
3-piperidin-1-ylpropyl hydrogen carbonate
CID 23210465
undecyl 2,2-dimethyl-6-pyrrolidin-1-ylhexanoate
CID 170975773
1-O-ethyl 4-O-(3-morpholin-4-ylpropyl) but-2-enedioate
CID 78155177

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate?
The IUPAC name of 2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate (CID 158258538) is 2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCCN1CCCCC1.CC(C)(C)C(=O)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate?
The InChIKey is GHOWJZDLBQIZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.C11H21NO3/c1-13(2,3)12(15)16-11-7-10-14-8-5-4-6-9-14;1-11(2,3)10(13)15-9-6-12-4-7-14-8-5-12/h4-11H2,1-3H3;4-9H2,1-3H3.
What are the key properties of 2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate?
2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate has a molecular weight of 442.64 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate is sourced from PubChem (CID 158258538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).