(6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one

C17H33NO2 — CID 59793819

IUPAC(6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one
SMILESCCCCCCCN1C(=O)CCC[C@@H]1CCC(O)CC
InChIInChI=1S/C17H33NO2/c1-3-5-6-7-8-14-18-15(10-9-11-17(18)20)12-13-16(19)4-2/h15-16,19H,3-14H2,1-2H3/t15-,16?/m1/s1
InChIKeyAGVLQQVBHVFJMR-AAFJCEBUSA-N
MW283.46 g/mol
LogP3.89
Rot. Bonds10

About (6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one

(6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one (PubChem CID 59793819) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is (6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one.

Molecular Properties

Compound Name(6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one
PubChem CID59793819
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name(6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one
SMILESCCCCCCCN1C(=O)CCC[C@@H]1CCC(O)CC
InChIInChI=1S/C17H33NO2/c1-3-5-6-7-8-14-18-15(10-9-11-17(18)20)12-13-16(19)4-2/h15-16,19H,3-14H2,1-2H3/t15-,16?/m1/s1
InChIKeyAGVLQQVBHVFJMR-AAFJCEBUSA-N
XLogP3.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.89
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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Frequently Asked Questions

What is the IUPAC name of (6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one?
The IUPAC name of (6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one (CID 59793819) is (6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one.
What is the SMILES notation for (6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one?
The canonical SMILES for (6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one is CCCCCCCN1C(=O)CCC[C@@H]1CCC(O)CC.
What is the InChIKey of (6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one?
The InChIKey is AGVLQQVBHVFJMR-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-5-6-7-8-14-18-15(10-9-11-17(18)20)12-13-16(19)4-2/h15-16,19H,3-14H2,1-2H3/t15-,16?/m1/s1.
What are the key properties of (6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one?
(6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one has a molecular weight of 283.46 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one is sourced from PubChem (CID 59793819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).