(2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one

C15H30N2O3 — CID 61164340

IUPAC(2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCCOCCOC1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O3/c1-5-19-10-11-20-12-6-8-17(9-7-12)14(18)13(16)15(2,3)4/h12-13H,5-11,16H2,1-4H3/t13-/m1/s1
InChIKeyQEJCFPDFMLGMDD-CYBMUJFWSA-N
MW286.42 g/mol
LogP1.40
Rot. Bonds6

About (2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one

(2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 61164340) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID61164340
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name(2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCCOCCOC1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O3/c1-5-19-10-11-20-12-6-8-17(9-7-12)14(18)13(16)15(2,3)4/h12-13H,5-11,16H2,1-4H3/t13-/m1/s1
InChIKeyQEJCFPDFMLGMDD-CYBMUJFWSA-N
XLogP1.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(S)-2-Amino-1-(4-methoxy-piperidin-1-yl)-3-methyl-butan-1-one
CID 61155723
2,4-diamino-1-[(4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]butan-1-one
CID 121265300
(2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one
CID 71855127
(2S)-2-amino-1-(4-hydroxypiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 59345332
(2S)-1-(4-hydroxypiperidin-1-yl)-3,3-dimethyl-2-(methylamino)butan-1-one
CID 59979604
(S)-2-Amino-1-(4-methoxy-piperidin-1-yl)-propan-1-one
CID 61146328
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 61155722
2-Amino-1-(2,6-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
CID 68920944
2-Amino-1-(4-hydroxypiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 72260269
2-amino-N,3,3-trimethyl-N-(oxan-4-yl)butanamide
CID 76893379
(2S)-2-amino-4-methyl-1-(4-propan-2-yloxypiperidin-1-yl)pentan-1-one
CID 118427461
2,4-diamino-1-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]butan-1-one
CID 121247089

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one (CID 61164340) is (2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one is CCOCCOC1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is QEJCFPDFMLGMDD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-19-10-11-20-12-6-8-17(9-7-12)14(18)13(16)15(2,3)4/h12-13H,5-11,16H2,1-4H3/t13-/m1/s1.
What are the key properties of (2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one?
(2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 286.42 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 61164340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).