(3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one

C17H32N2O2 — CID 42384703

IUPAC(3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one
SMILESCN1CCC[C@@](O)(CNCCC2CCCCCCC2)C1=O
InChIInChI=1S/C17H32N2O2/c1-19-13-7-11-17(21,16(19)20)14-18-12-10-15-8-5-3-2-4-6-9-15/h15,18,21H,2-14H2,1H3/t17-/m1/s1
InChIKeyPUSXXDVCAMUXQR-QGZVFWFLSA-N
MW296.45 g/mol
LogP2.31
Rot. Bonds5

About (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one

(3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one (PubChem CID 42384703) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one
PubChem CID42384703
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one
SMILESCN1CCC[C@@](O)(CNCCC2CCCCCCC2)C1=O
InChIInChI=1S/C17H32N2O2/c1-19-13-7-11-17(21,16(19)20)14-18-12-10-15-8-5-3-2-4-6-9-15/h15,18,21H,2-14H2,1H3/t17-/m1/s1
InChIKeyPUSXXDVCAMUXQR-QGZVFWFLSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one?
The IUPAC name of (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one (CID 42384703) is (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one.
What is the SMILES notation for (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one?
The canonical SMILES for (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one is CN1CCC[C@@](O)(CNCCC2CCCCCCC2)C1=O.
What is the InChIKey of (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one?
The InChIKey is PUSXXDVCAMUXQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-19-13-7-11-17(21,16(19)20)14-18-12-10-15-8-5-3-2-4-6-9-15/h15,18,21H,2-14H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one?
(3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one has a molecular weight of 296.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-cyclooctylethylamino)methyl]-3-hydroxy-1-methylpiperidin-2-one is sourced from PubChem (CID 42384703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).