4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one

C15H28N2O3 — CID 20550696

IUPAC4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one
SMILESCC(=O)C(CN1CCC(O)CC1)CN1CCCCC1O
InChIInChI=1S/C15H28N2O3/c1-12(18)13(10-16-8-5-14(19)6-9-16)11-17-7-3-2-4-15(17)20/h13-15,19-20H,2-11H2,1H3
InChIKeyGIXUZVVTYRMCJR-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.45
Rot. Bonds5

About 4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one

4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one (PubChem CID 20550696) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one
PubChem CID20550696
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one
SMILESCC(=O)C(CN1CCC(O)CC1)CN1CCCCC1O
InChIInChI=1S/C15H28N2O3/c1-12(18)13(10-16-8-5-14(19)6-9-16)11-17-7-3-2-4-15(17)20/h13-15,19-20H,2-11H2,1H3
InChIKeyGIXUZVVTYRMCJR-UHFFFAOYSA-N
XLogP0.45
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Butanone, 4-(4-hydroxy-1-piperidinyl)-3-((4-hydroxy-1-piperidinyl)methyl)-
CID 51085
3-[3-(Hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 56794340
4-[3-(Hydroxymethyl)piperidin-1-yl]-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]butan-2-one
CID 20292281
3-Diethylaminomethyl-4-(4-hydroxypiperidino)butan-2-one
CID 20550699
4-(4-Hydroxypiperidin-1-yl)-3-[(4-hydroxypiperidin-1-yl)methyl]butan-2-one;dihydrochloride
CID 23456663
4-(3-Hydroxypiperidin-1-yl)-3-[(3-hydroxypiperidin-1-yl)methyl]butan-2-one
CID 53749686
3-(Hydroxymethyl)-4-[3-(hydroxymethyl)piperidin-1-yl]-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]butan-2-one
CID 54414353
4-[3-(Hydroxymethyl)piperidin-1-yl]butan-2-one
CID 60647815
4-[3-(Hydroxymethyl)piperidin-1-yl]-3-methylbutan-2-one
CID 90038908
(3S)-4-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-2-one
CID 90039477
Ethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol
CID 144581683
1-(1-Methylpiperidin-3-yl)ethanone;(1-methylpiperidin-3-yl)methanol
CID 157192743

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one (CID 20550696) is 4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one is CC(=O)C(CN1CCC(O)CC1)CN1CCCCC1O.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one?
The InChIKey is GIXUZVVTYRMCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(18)13(10-16-8-5-14(19)6-9-16)11-17-7-3-2-4-15(17)20/h13-15,19-20H,2-11H2,1H3.
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one?
4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one has a molecular weight of 284.40 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-3-[(2-hydroxypiperidin-1-yl)methyl]butan-2-one is sourced from PubChem (CID 20550696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).