6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one

C14H28N2O2 — CID 114678379

IUPAC6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one
SMILESCCC(CCN)CCC(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C14H28N2O2/c1-3-12(6-8-15)4-5-14(18)16-9-7-13(17)11(2)10-16/h11-13,17H,3-10,15H2,1-2H3
InChIKeyYUHLPGWDODYOLE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.37
Rot. Bonds6

About 6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one

6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one (PubChem CID 114678379) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one
PubChem CID114678379
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one
SMILESCCC(CCN)CCC(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C14H28N2O2/c1-3-12(6-8-15)4-5-14(18)16-9-7-13(17)11(2)10-16/h11-13,17H,3-10,15H2,1-2H3
InChIKeyYUHLPGWDODYOLE-UHFFFAOYSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-ethyl-1-[4-(1-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 106835869
3-chloro-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380940
4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one
CID 107222910
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-sulfanylethanone
CID 114683823
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114678152
2-amino-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 114678319
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 114680336
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)butan-1-one
CID 121202919
(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 104940920
1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 114501416
4-ethyl-1-(3-methylazetidin-1-yl)octane-1,7-dione
CID 163374134
2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pentan-1-one
CID 114678311

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one?
The IUPAC name of 6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one (CID 114678379) is 6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one.
What is the SMILES notation for 6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one?
The canonical SMILES for 6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one is CCC(CCN)CCC(=O)N1CCC(O)C(C)C1.
What is the InChIKey of 6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one?
The InChIKey is YUHLPGWDODYOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-12(6-8-15)4-5-14(18)16-9-7-13(17)11(2)10-16/h11-13,17H,3-10,15H2,1-2H3.
What are the key properties of 6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one?
6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-ethyl-1-(4-hydroxy-3-methylpiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 114678379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).