1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one

C12H23NO3 — CID 114501502

IUPAC1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one
SMILESCOCC(C)CC(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C12H23NO3/c1-9(8-16-3)6-12(15)13-5-4-11(14)10(2)7-13/h9-11,14H,4-8H2,1-3H3
InChIKeyBJPQZZLYDATKSV-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.89
Rot. Bonds4

About 1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one

1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one (PubChem CID 114501502) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one
PubChem CID114501502
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one
SMILESCOCC(C)CC(=O)N1CCC(O)C(C)C1
InChIInChI=1S/C12H23NO3/c1-9(8-16-3)6-12(15)13-5-4-11(14)10(2)7-13/h9-11,14H,4-8H2,1-3H3
InChIKeyBJPQZZLYDATKSV-UHFFFAOYSA-N
XLogP0.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one
CID 81458526
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-sulfanylethanone
CID 114683823
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114678152
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methoxy-3-methylbutan-1-one
CID 82691506
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 114680336
1-(4-hydroxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 114501416
3-chloro-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380940
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 114678072
4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 81080868
2-amino-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 114678319
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one?
The IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one (CID 114501502) is 1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one?
The canonical SMILES for 1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one is COCC(C)CC(=O)N1CCC(O)C(C)C1.
What is the InChIKey of 1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one?
The InChIKey is BJPQZZLYDATKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(8-16-3)6-12(15)13-5-4-11(14)10(2)7-13/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one?
1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one has a molecular weight of 229.32 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-one is sourced from PubChem (CID 114501502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).