(3R,6R)-3-ethyl-6-methylpiperidin-2-one

C8H15NO — CID 122155636

IUPAC(3R,6R)-3-ethyl-6-methylpiperidin-2-one
SMILESCC[C@@H]1CC[C@@H](C)NC1=O
InChIInChI=1S/C8H15NO/c1-3-7-5-4-6(2)9-8(7)10/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7-/m1/s1
InChIKeyRXTOBTRQQPIIFE-RNFRBKRXSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds1

About (3R,6R)-3-ethyl-6-methylpiperidin-2-one

(3R,6R)-3-ethyl-6-methylpiperidin-2-one (PubChem CID 122155636) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3R,6R)-3-ethyl-6-methylpiperidin-2-one.

Molecular Properties

Compound Name(3R,6R)-3-ethyl-6-methylpiperidin-2-one
PubChem CID122155636
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3R,6R)-3-ethyl-6-methylpiperidin-2-one
SMILESCC[C@@H]1CC[C@@H](C)NC1=O
InChIInChI=1S/C8H15NO/c1-3-7-5-4-6(2)9-8(7)10/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7-/m1/s1
InChIKeyRXTOBTRQQPIIFE-RNFRBKRXSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3-ethyl-6-methylpiperidin-2-one?
The IUPAC name of (3R,6R)-3-ethyl-6-methylpiperidin-2-one (CID 122155636) is (3R,6R)-3-ethyl-6-methylpiperidin-2-one.
What is the SMILES notation for (3R,6R)-3-ethyl-6-methylpiperidin-2-one?
The canonical SMILES for (3R,6R)-3-ethyl-6-methylpiperidin-2-one is CC[C@@H]1CC[C@@H](C)NC1=O.
What is the InChIKey of (3R,6R)-3-ethyl-6-methylpiperidin-2-one?
The InChIKey is RXTOBTRQQPIIFE-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-7-5-4-6(2)9-8(7)10/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7-/m1/s1.
What are the key properties of (3R,6R)-3-ethyl-6-methylpiperidin-2-one?
(3R,6R)-3-ethyl-6-methylpiperidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-ethyl-6-methylpiperidin-2-one is sourced from PubChem (CID 122155636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).