(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one

C13H26N2O — CID 63160186

IUPAC(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCCC1(C)CCN(C(=O)[C@@H](N)C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-5-13(4)6-8-15(9-7-13)12(16)11(14)10(2)3/h10-11H,5-9,14H2,1-4H3/t11-/m0/s1
InChIKeyDSTGEXZEKSKDFO-NSHDSACASA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds3

About (2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one

(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one (PubChem CID 63160186) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
PubChem CID63160186
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCCC1(C)CCN(C(=O)[C@@H](N)C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-5-13(4)6-8-15(9-7-13)12(16)11(14)10(2)3/h10-11H,5-9,14H2,1-4H3/t11-/m0/s1
InChIKeyDSTGEXZEKSKDFO-NSHDSACASA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 63160102
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
2-chloro-1-(4-ethyl-4-methylpiperidin-1-yl)propan-1-one
CID 63158562
2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide
CID 63161688
1-(4-ethyl-4-methylpiperidin-1-yl)-2-methoxypropan-1-one
CID 112688285
4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103498360
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one
CID 81088783
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 63163139
2-amino-1-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-one
CID 63163646
(2R)-2-amino-1-(1,7-diazaspiro[3.5]nonan-7-yl)-3-methylbutan-1-one
CID 97174792
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-phenylethanone
CID 63160272
1-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-2-amino-3-methylbutan-1-one
CID 71632593

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one (CID 63160186) is (2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one is CCC1(C)CCN(C(=O)[C@@H](N)C(C)C)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one?
The InChIKey is DSTGEXZEKSKDFO-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-13(4)6-8-15(9-7-13)12(16)11(14)10(2)3/h10-11H,5-9,14H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one?
(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 63160186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).