3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one

C10H20N2O2 — CID 54408346

IUPAC3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one
SMILESCNC1CCN(C(=O)CC(C)O)CC1
InChIInChI=1S/C10H20N2O2/c1-8(13)7-10(14)12-5-3-9(11-2)4-6-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyVSINWRFOFSONLH-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.03
Rot. Bonds3

About 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one

3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one (PubChem CID 54408346) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one
PubChem CID54408346
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one
SMILESCNC1CCN(C(=O)CC(C)O)CC1
InChIInChI=1S/C10H20N2O2/c1-8(13)7-10(14)12-5-3-9(11-2)4-6-12/h8-9,11,13H,3-7H2,1-2H3
InChIKeyVSINWRFOFSONLH-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-1-[3-(2-hydroxyethylamino)pyrrolidin-1-yl]butan-1-one
CID 54297808
4-methyl-1-[4-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119562078
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
4-methyl-1-[4-(methylamino)piperidin-1-yl]-3-phenylpentan-1-one;hydrochloride
CID 119560060
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 60818049
N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide
CID 130209713
2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119560451
2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]guanidine
CID 20641631
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219
N-[1-(3-aminobutanoyl)piperidin-4-yl]acetamide
CID 115738812

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one (CID 54408346) is 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one is CNC1CCN(C(=O)CC(C)O)CC1.
What is the InChIKey of 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one?
The InChIKey is VSINWRFOFSONLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(13)7-10(14)12-5-3-9(11-2)4-6-12/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one?
3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one has a molecular weight of 200.28 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 54408346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).