ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate

C14H28N2O2 — CID 62332368

IUPACethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate
SMILESCCOC(=O)C(C)(N)CCN1CCC(C)CC1C
InChIInChI=1S/C14H28N2O2/c1-5-18-13(17)14(4,15)7-9-16-8-6-11(2)10-12(16)3/h11-12H,5-10,15H2,1-4H3
InChIKeyDEPILTDVIQNJBX-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds5

About ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate

ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate (PubChem CID 62332368) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate
PubChem CID62332368
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate
SMILESCCOC(=O)C(C)(N)CCN1CCC(C)CC1C
InChIInChI=1S/C14H28N2O2/c1-5-18-13(17)14(4,15)7-9-16-8-6-11(2)10-12(16)3/h11-12H,5-10,15H2,1-4H3
InChIKeyDEPILTDVIQNJBX-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate?
The IUPAC name of ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate (CID 62332368) is ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate.
What is the SMILES notation for ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate?
The canonical SMILES for ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate is CCOC(=O)C(C)(N)CCN1CCC(C)CC1C.
What is the InChIKey of ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate?
The InChIKey is DEPILTDVIQNJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-18-13(17)14(4,15)7-9-16-8-6-11(2)10-12(16)3/h11-12H,5-10,15H2,1-4H3.
What are the key properties of ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate?
ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate has a molecular weight of 256.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2,4-dimethylpiperidin-1-yl)-2-methylbutanoate is sourced from PubChem (CID 62332368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).