methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate

C14H28N2O2 — CID 63159456

IUPACmethyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate
SMILESCCC1(CC)CCN(CC(NC)C(=O)OC)CC1
InChIInChI=1S/C14H28N2O2/c1-5-14(6-2)7-9-16(10-8-14)11-12(15-3)13(17)18-4/h12,15H,5-11H2,1-4H3
InChIKeyKTEHJFHFPPQCQU-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds6

About methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate

methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate (PubChem CID 63159456) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate
PubChem CID63159456
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate
SMILESCCC1(CC)CCN(CC(NC)C(=O)OC)CC1
InChIInChI=1S/C14H28N2O2/c1-5-14(6-2)7-9-16(10-8-14)11-12(15-3)13(17)18-4/h12,15H,5-11H2,1-4H3
InChIKeyKTEHJFHFPPQCQU-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63159042
methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
CID 63634901
methyl 2-(4,4-diethylpiperidin-1-yl)propanoate
CID 63158633
methyl 2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63623762
methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62930775
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(methylamino)propanoate
CID 64582141
ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103502066
methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 55155554
methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate
CID 154186971
1-(4,4-diethylpiperidin-1-yl)-4-methoxybutan-2-amine
CID 55159302
1-(4,4-diethylpiperidin-1-yl)-3-methoxy-3-methylbutan-2-ol
CID 114228753
4,4-diethyl-1-(2-methylpropyl)piperidine;ethane
CID 154670691

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate?
The IUPAC name of methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate (CID 63159456) is methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate is CCC1(CC)CCN(CC(NC)C(=O)OC)CC1.
What is the InChIKey of methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate?
The InChIKey is KTEHJFHFPPQCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-14(6-2)7-9-16(10-8-14)11-12(15-3)13(17)18-4/h12,15H,5-11H2,1-4H3.
What are the key properties of methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate?
methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate is sourced from PubChem (CID 63159456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).