5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one

C11H22N2O2 — CID 107222947

IUPAC5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H22N2O2/c1-9(7-12)4-5-11(15)13-6-2-3-10(14)8-13/h9-10,14H,2-8,12H2,1H3/t9?,10-/m0/s1
InChIKeyMAHHLLAXPRBCDF-AXDSSHIGSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds4

About 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one

5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one (PubChem CID 107222947) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
PubChem CID107222947
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
SMILESCC(CN)CCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H22N2O2/c1-9(7-12)4-5-11(15)13-6-2-3-10(14)8-13/h9-10,14H,2-8,12H2,1H3/t9?,10-/m0/s1
InChIKeyMAHHLLAXPRBCDF-AXDSSHIGSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(3-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
CID 82011405
5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one
CID 82689210
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one
CID 107217188
4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one
CID 107222910
1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60852155
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
4-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 81080868
1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 82012551
5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one
CID 82689255
4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
CID 103154344
3-(aminomethyl)-1-(3-hydroxypiperidin-1-yl)pentan-1-one
CID 81071735
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one?
The IUPAC name of 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one (CID 107222947) is 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one is CC(CN)CCC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one?
The InChIKey is MAHHLLAXPRBCDF-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(7-12)4-5-11(15)13-6-2-3-10(14)8-13/h9-10,14H,2-8,12H2,1H3/t9?,10-/m0/s1.
What are the key properties of 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one?
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one is sourced from PubChem (CID 107222947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).