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

4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one
CID 103155888
3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
CID 81071735
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
4-amino-1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-methoxybutan-1-one
CID 120596449
4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one
CID 106668761
3-amino-1-(3-hydroxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106111292
4-amino-3-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 103155852
1-(4-amino-3-methoxybutanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591034
4-amino-3-methoxy-1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 120596115
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 103156847
4-amino-3-methoxy-1-[3-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 120592110

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).