(6S)-6-(propan-2-yloxymethyl)piperidin-2-one

C9H17NO2 — CID 155064502

IUPAC(6S)-6-(propan-2-yloxymethyl)piperidin-2-one
SMILESCC(C)OC[C@@H]1CCCC(=O)N1
InChIInChI=1S/C9H17NO2/c1-7(2)12-6-8-4-3-5-9(11)10-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyXOCPGAPDWVDFTD-QMMMGPOBSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds3

About (6S)-6-(propan-2-yloxymethyl)piperidin-2-one

(6S)-6-(propan-2-yloxymethyl)piperidin-2-one (PubChem CID 155064502) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (6S)-6-(propan-2-yloxymethyl)piperidin-2-one.

Molecular Properties

Compound Name(6S)-6-(propan-2-yloxymethyl)piperidin-2-one
PubChem CID155064502
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(6S)-6-(propan-2-yloxymethyl)piperidin-2-one
SMILESCC(C)OC[C@@H]1CCCC(=O)N1
InChIInChI=1S/C9H17NO2/c1-7(2)12-6-8-4-3-5-9(11)10-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyXOCPGAPDWVDFTD-QMMMGPOBSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(propan-2-yloxymethyl)piperidin-2-one?
The IUPAC name of (6S)-6-(propan-2-yloxymethyl)piperidin-2-one (CID 155064502) is (6S)-6-(propan-2-yloxymethyl)piperidin-2-one.
What is the SMILES notation for (6S)-6-(propan-2-yloxymethyl)piperidin-2-one?
The canonical SMILES for (6S)-6-(propan-2-yloxymethyl)piperidin-2-one is CC(C)OC[C@@H]1CCCC(=O)N1.
What is the InChIKey of (6S)-6-(propan-2-yloxymethyl)piperidin-2-one?
The InChIKey is XOCPGAPDWVDFTD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)12-6-8-4-3-5-9(11)10-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t8-/m0/s1.
What are the key properties of (6S)-6-(propan-2-yloxymethyl)piperidin-2-one?
(6S)-6-(propan-2-yloxymethyl)piperidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(propan-2-yloxymethyl)piperidin-2-one is sourced from PubChem (CID 155064502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).