1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one

C15H29NO2 — CID 94842553

IUPAC1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
SMILESCCCCCCCCCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-11-15(18)16-12-9-10-14(17)13-16/h14,17H,2-13H2,1H3/t14-/m0/s1
InChIKeyGSKAEGRLERRCLC-AWEZNQCLSA-N
MW255.40 g/mol
LogP3.11
Rot. Bonds8

About 1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one

1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one (PubChem CID 94842553) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
PubChem CID94842553
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
SMILESCCCCCCCCCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-11-15(18)16-12-9-10-14(17)13-16/h14,17H,2-13H2,1H3/t14-/m0/s1
InChIKeyGSKAEGRLERRCLC-AWEZNQCLSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
4-hydroxy-1-(3-hydroxypiperidin-1-yl)decan-1-one
CID 136558785
5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107877953
1-(3-hydroxyazetidin-1-yl)nonan-1-one
CID 63105492
1-(3-hydroxyazetidin-1-yl)dodecan-1-one
CID 65428081
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-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
CID 110935763
1-(3-hydroxy-4-methylpiperidin-1-yl)decan-1-one
CID 103900332
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 62356771
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one?
The IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one (CID 94842553) is 1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one.
What is the SMILES notation for 1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one?
The canonical SMILES for 1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one is CCCCCCCCCC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one?
The InChIKey is GSKAEGRLERRCLC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-11-15(18)16-12-9-10-14(17)13-16/h14,17H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one?
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one has a molecular weight of 255.40 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one is sourced from PubChem (CID 94842553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).