methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate

C14H26N2O4 — CID 115537318

IUPACmethyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CC2CN(C(C)C)CCO2)CCO1
InChIInChI=1S/C14H26N2O4/c1-11(2)16-5-7-19-12(9-16)8-15-4-6-20-13(10-15)14(17)18-3/h11-13H,4-10H2,1-3H3
InChIKeyPCGCHUVEVWYENY-UHFFFAOYSA-N
MW286.37 g/mol
LogP-0.03
Rot. Bonds4

About methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate

methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate (PubChem CID 115537318) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate
PubChem CID115537318
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(CC2CN(C(C)C)CCO2)CCO1
InChIInChI=1S/C14H26N2O4/c1-11(2)16-5-7-19-12(9-16)8-15-4-6-20-13(10-15)14(17)18-3/h11-13H,4-10H2,1-3H3
InChIKeyPCGCHUVEVWYENY-UHFFFAOYSA-N
XLogP-0.03
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(4-ethylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 78946666
methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate
CID 64533750
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64532739
1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone
CID 64532918
methyl 4-(oxolan-3-ylmethyl)morpholine-2-carboxylate
CID 78926397
methyl 4-(2-cyanopropyl)morpholine-2-carboxylate
CID 115537417
methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate
CID 115533856
methyl 4-[(E)-but-2-enyl]morpholine-2-carboxylate
CID 78926479
methyl 4-octylmorpholine-2-carboxylate
CID 79002818
ethane;2-(methoxymethyl)-4-propan-2-ylmorpholine
CID 164585009
4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide
CID 124565728

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate (CID 115537318) is methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate is COC(=O)C1CN(CC2CN(C(C)C)CCO2)CCO1.
What is the InChIKey of methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate?
The InChIKey is PCGCHUVEVWYENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(2)16-5-7-19-12(9-16)8-15-4-6-20-13(10-15)14(17)18-3/h11-13H,4-10H2,1-3H3.
What are the key properties of methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate?
methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate has a molecular weight of 286.37 g/mol, XLogP of -0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate is sourced from PubChem (CID 115537318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).