4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one

C10H20N2O3 — CID 103154344

IUPAC4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
SMILESCOC(CN)CC(=O)N1CCCC(O)C1
InChIInChI=1S/C10H20N2O3/c1-15-9(6-11)5-10(14)12-4-2-3-8(13)7-12/h8-9,13H,2-7,11H2,1H3
InChIKeyMWVNTBSYAMSJCA-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.67
Rot. Bonds4

About 4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one

4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one (PubChem CID 103154344) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
PubChem CID103154344
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
SMILESCOC(CN)CC(=O)N1CCCC(O)C1
InChIInChI=1S/C10H20N2O3/c1-15-9(6-11)5-10(14)12-4-2-3-8(13)7-12/h8-9,13H,2-7,11H2,1H3
InChIKeyMWVNTBSYAMSJCA-UHFFFAOYSA-N
XLogP-0.67
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxy-1-(3-methoxypropyl)piperidine-4-carboxamide
CID 68756394
4-Amino-3-hydroxy-1-morpholin-4-ylbutan-1-one
CID 68947679
4-(4-Hydroxypiperidin-1-yl)-2-methoxy-4-oxobutanamide
CID 69026333
4-Amino-1-(4-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
CID 69026334
4-Amino-3-methoxy-1-morpholin-4-ylbutan-1-one
CID 69029107
3-Hydroxy-4-morpholin-4-ylbutanamide
CID 69065017
(3R)-3-hydroxy-4-morpholin-4-ylbutanamide
CID 69066222
(3S)-3-hydroxy-4-morpholin-4-ylbutanamide
CID 69072637
4-Amino-3-hydroxy-1-(4-methylpiperazin-1-yl)butan-1-one
CID 69316221
4-(3-Hydroxypiperidin-1-yl)butanamide
CID 70338519
[2-Hydroxy-4-oxo-4-(pentylamino)butyl]-trimethylazanium
CID 88360006
3-Hydroxy-1-propylpiperidine-4-carboxamide
CID 172328446

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one?
The IUPAC name of 4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one (CID 103154344) is 4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one.
What is the SMILES notation for 4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one?
The canonical SMILES for 4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one is COC(CN)CC(=O)N1CCCC(O)C1.
What is the InChIKey of 4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one?
The InChIKey is MWVNTBSYAMSJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-15-9(6-11)5-10(14)12-4-2-3-8(13)7-12/h8-9,13H,2-7,11H2,1H3.
What are the key properties of 4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one?
4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one has a molecular weight of 216.28 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one is sourced from PubChem (CID 103154344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).