methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate

C14H28N2O2 — CID 62930775

IUPACmethyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(CN1CCC(C)(C)CC1)NC(C)C
InChIInChI=1S/C14H28N2O2/c1-11(2)15-12(13(17)18-5)10-16-8-6-14(3,4)7-9-16/h11-12,15H,6-10H2,1-5H3
InChIKeyOTSXUQJIXYFPTL-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds5

About methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate

methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate (PubChem CID 62930775) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
PubChem CID62930775
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
SMILESCOC(=O)C(CN1CCC(C)(C)CC1)NC(C)C
InChIInChI=1S/C14H28N2O2/c1-11(2)15-12(13(17)18-5)10-16-8-6-14(3,4)7-9-16/h11-12,15H,6-10H2,1-5H3
InChIKeyOTSXUQJIXYFPTL-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62091822
methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 55155554
methyl 3-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
CID 63165430
methyl 2-methyl-3-(4-silylpiperazin-1-yl)propanoate
CID 154186971
ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103501963
4-(4,4-dimethylazepan-1-yl)-2-(propan-2-ylamino)butanamide
CID 65281802
methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate
CID 63159718
2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 62932657
ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate
CID 81097454
ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62930265
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide
CID 107394680
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
CID 55145293

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate?
The IUPAC name of methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate (CID 62930775) is methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate?
The canonical SMILES for methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate is COC(=O)C(CN1CCC(C)(C)CC1)NC(C)C.
What is the InChIKey of methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate?
The InChIKey is OTSXUQJIXYFPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)15-12(13(17)18-5)10-16-8-6-14(3,4)7-9-16/h11-12,15H,6-10H2,1-5H3.
What are the key properties of methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate?
methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 62930775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).