2-hydroxy-1-piperidin-1-ylundecan-1-one

C16H31NO2 — CID 14913073

IUPAC2-hydroxy-1-piperidin-1-ylundecan-1-one
SMILESCCCCCCCCCC(O)C(=O)N1CCCCC1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-9-12-15(18)16(19)17-13-10-8-11-14-17/h15,18H,2-14H2,1H3
InChIKeyLQBAEWVMXOWALP-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.50
Rot. Bonds9

About 2-hydroxy-1-piperidin-1-ylundecan-1-one

2-hydroxy-1-piperidin-1-ylundecan-1-one (PubChem CID 14913073) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-hydroxy-1-piperidin-1-ylundecan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-piperidin-1-ylundecan-1-one
PubChem CID14913073
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-hydroxy-1-piperidin-1-ylundecan-1-one
SMILESCCCCCCCCCC(O)C(=O)N1CCCCC1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-9-12-15(18)16(19)17-13-10-8-11-14-17/h15,18H,2-14H2,1H3
InChIKeyLQBAEWVMXOWALP-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.50
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

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Hydroxycetyl hydroxyethylstearamide
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2-Hydroxy-1-morpholin-4-ylhexan-1-one
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N-hexyl-2-hydroxyhexadecanamide
CID 129725913
1-octanol-N,N-dimethylformamide
CID 129864964
N,N'-dioctyl-alpha-hydroxy acetamide
CID 132993166
N-(2-hydroxyethyl)-(3r)-hydroxynonanamide
CID 138115447
N-(2-hydroxyethyl)-(3s)-hydroxynonanamide
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(1R)-1-cyclohexyl-2-[4-(ethoxymethyl)piperidin-1-yl]-2-oxoethanol
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2-Hydroxy-octadecanooic acid, pyrrolidide
CID 85525599

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-piperidin-1-ylundecan-1-one?
The IUPAC name of 2-hydroxy-1-piperidin-1-ylundecan-1-one (CID 14913073) is 2-hydroxy-1-piperidin-1-ylundecan-1-one.
What is the SMILES notation for 2-hydroxy-1-piperidin-1-ylundecan-1-one?
The canonical SMILES for 2-hydroxy-1-piperidin-1-ylundecan-1-one is CCCCCCCCCC(O)C(=O)N1CCCCC1.
What is the InChIKey of 2-hydroxy-1-piperidin-1-ylundecan-1-one?
The InChIKey is LQBAEWVMXOWALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-9-12-15(18)16(19)17-13-10-8-11-14-17/h15,18H,2-14H2,1H3.
What are the key properties of 2-hydroxy-1-piperidin-1-ylundecan-1-one?
2-hydroxy-1-piperidin-1-ylundecan-1-one has a molecular weight of 269.43 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-piperidin-1-ylundecan-1-one is sourced from PubChem (CID 14913073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).