(2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one

C14H28N2O2 — CID 71855127

IUPAC(2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one
SMILESCCOC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-6-18-12-7-9-16(10-8-12)14(17)13(11(2)3)15(4)5/h11-13H,6-10H2,1-5H3/t13-/m0/s1
InChIKeyKXENHWINMDITQO-ZDUSSCGKSA-N
MW256.39 g/mol
LogP1.60
Rot. Bonds5

About (2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one

(2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one (PubChem CID 71855127) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one
PubChem CID71855127
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one
SMILESCCOC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-6-18-12-7-9-16(10-8-12)14(17)13(11(2)3)15(4)5/h11-13H,6-10H2,1-5H3/t13-/m0/s1
InChIKeyKXENHWINMDITQO-ZDUSSCGKSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of (2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one (CID 71855127) is (2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one is CCOC1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1.
What is the InChIKey of (2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one?
The InChIKey is KXENHWINMDITQO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-18-12-7-9-16(10-8-12)14(17)13(11(2)3)15(4)5/h11-13H,6-10H2,1-5H3/t13-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one?
(2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 71855127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).