6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one

C13H26N2O2 — CID 107222893

IUPAC6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one
SMILESCC(C)(CCN)CCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C13H26N2O2/c1-13(2,7-8-14)6-5-12(17)15-9-3-4-11(16)10-15/h11,16H,3-10,14H2,1-2H3/t11-/m0/s1
InChIKeyLJGJEMZVRDXKQX-NSHDSACASA-N
MW242.36 g/mol
LogP1.12
Rot. Bonds5

About 6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one

6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one (PubChem CID 107222893) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one
PubChem CID107222893
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one
SMILESCC(C)(CCN)CCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C13H26N2O2/c1-13(2,7-8-14)6-5-12(17)15-9-3-4-11(16)10-15/h11,16H,3-10,14H2,1-2H3/t11-/m0/s1
InChIKeyLJGJEMZVRDXKQX-NSHDSACASA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one with MolForge

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Related Compounds

1-(6-amino-4,4-dimethylhexanoyl)piperidine-3-carboxamide
CID 65292570
6-amino-1-(4-hydroxypiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65293101
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
6-amino-4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one
CID 81199855
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 65291131
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one
CID 107222910
5-[(3S)-3-hydroxypiperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 107214953
ethyl 4-[(3S)-3-hydroxypiperidin-1-yl]-4-oxobutanoate
CID 107214957
6-amino-1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylhexan-1-one
CID 65293281

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one?
The IUPAC name of 6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one (CID 107222893) is 6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one.
What is the SMILES notation for 6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one?
The canonical SMILES for 6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one is CC(C)(CCN)CCC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one?
The InChIKey is LJGJEMZVRDXKQX-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,7-8-14)6-5-12(17)15-9-3-4-11(16)10-15/h11,16H,3-10,14H2,1-2H3/t11-/m0/s1.
What are the key properties of 6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one?
6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one is sourced from PubChem (CID 107222893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).