1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one

C13H25NO2 — CID 110935763

IUPAC1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
SMILESCC(C)(C)CCCC(=O)N1CCCC(O)C1
InChIInChI=1S/C13H25NO2/c1-13(2,3)8-4-7-12(16)14-9-5-6-11(15)10-14/h11,15H,4-10H2,1-3H3
InChIKeyBWQYIKHUWYMNDO-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.19
Rot. Bonds3

About 1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one

1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one (PubChem CID 110935763) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
PubChem CID110935763
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
SMILESCC(C)(C)CCCC(=O)N1CCCC(O)C1
InChIInChI=1S/C13H25NO2/c1-13(2,3)8-4-7-12(16)14-9-5-6-11(15)10-14/h11,15H,4-10H2,1-3H3
InChIKeyBWQYIKHUWYMNDO-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107877953
6-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylhexan-1-one
CID 107222893
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one
CID 110909883
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
CID 107224919
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
1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82511505
1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60852155

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one (CID 110935763) is 1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one is CC(C)(C)CCCC(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one?
The InChIKey is BWQYIKHUWYMNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(2,3)8-4-7-12(16)14-9-5-6-11(15)10-14/h11,15H,4-10H2,1-3H3.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one?
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one is sourced from PubChem (CID 110935763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).