methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate

C14H27N3O3 — CID 78945334

IUPACmethyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CC2CN(C)CCO2)CC1
InChIInChI=1S/C14H27N3O3/c1-15-9-10-20-13(11-15)12-17-7-5-16(6-8-17)4-3-14(18)19-2/h13H,3-12H2,1-2H3
InChIKeySDAMSYCNNDIZBV-UHFFFAOYSA-N
MW285.39 g/mol
LogP-0.50
Rot. Bonds5

About methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate

methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate (PubChem CID 78945334) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate
PubChem CID78945334
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Namemethyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CC2CN(C)CCO2)CC1
InChIInChI=1S/C14H27N3O3/c1-15-9-10-20-13(11-15)12-17-7-5-16(6-8-17)4-3-14(18)19-2/h13H,3-12H2,1-2H3
InChIKeySDAMSYCNNDIZBV-UHFFFAOYSA-N
XLogP-0.50
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
CID 79182775
4-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,4-oxazepane
CID 54379759
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
methyl 3-(4-trimethylsilylpiperazin-1-yl)propanoate
CID 140660761
methyl 3-[4-(oxan-4-yl)piperidin-1-yl]propanoate
CID 86769727
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
4-[(4-methylmorpholin-2-yl)methyl]morpholine-2-carboxamide
CID 175806629
ethane;4-methyl-2-(piperazin-1-ylmethyl)morpholine
CID 144702613
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182827
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate (CID 78945334) is methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate is COC(=O)CCN1CCN(CC2CN(C)CCO2)CC1.
What is the InChIKey of methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate?
The InChIKey is SDAMSYCNNDIZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-15-9-10-20-13(11-15)12-17-7-5-16(6-8-17)4-3-14(18)19-2/h13H,3-12H2,1-2H3.
What are the key properties of methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate?
methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate has a molecular weight of 285.39 g/mol, XLogP of -0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(4-methylmorpholin-2-yl)methyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 78945334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).