1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone

C12H23NO2 — CID 63844463

IUPAC1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CCCCCO
InChIInChI=1S/C12H23NO2/c1-11(15)12-7-3-5-9-13(12)8-4-2-6-10-14/h12,14H,2-10H2,1H3
InChIKeyJDXJZPXGLFPCHB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.59
Rot. Bonds6

About 1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone

1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone (PubChem CID 63844463) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone
PubChem CID63844463
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1CCCCCO
InChIInChI=1S/C12H23NO2/c1-11(15)12-7-3-5-9-13(12)8-4-2-6-10-14/h12,14H,2-10H2,1H3
InChIKeyJDXJZPXGLFPCHB-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976
1-[1-(3-fluoropropyl)piperidin-2-yl]ethanone
CID 81105928
1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148
1-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]ethanone
CID 115513976
1-(1-pent-3-ynylpiperidin-2-yl)ethanone
CID 104807764
1-[(2S)-1-but-3-ynylpyrrolidin-2-yl]ethanone
CID 175636664
1-[1-(cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288
6-[2-(2-hydroxyethyl)piperidin-1-yl]hexan-1-ol
CID 103737919
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 45116058
1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone
CID 63844987
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone (CID 63844463) is 1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1CCCCCO.
What is the InChIKey of 1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone?
The InChIKey is JDXJZPXGLFPCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(15)12-7-3-5-9-13(12)8-4-2-6-10-14/h12,14H,2-10H2,1H3.
What are the key properties of 1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone?
1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone has a molecular weight of 213.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-hydroxypentyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 63844463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).