(4R)-4-methyl-1-propan-2-ylpiperidin-2-one

C9H17NO — CID 146189897

IUPAC(4R)-4-methyl-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CC[C@@H](C)CC1=O
InChIInChI=1S/C9H17NO/c1-7(2)10-5-4-8(3)6-9(10)11/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyAZJZKOZOQDXPBW-MRVPVSSYSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds1

About (4R)-4-methyl-1-propan-2-ylpiperidin-2-one

(4R)-4-methyl-1-propan-2-ylpiperidin-2-one (PubChem CID 146189897) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4R)-4-methyl-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-1-propan-2-ylpiperidin-2-one
PubChem CID146189897
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4R)-4-methyl-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CC[C@@H](C)CC1=O
InChIInChI=1S/C9H17NO/c1-7(2)10-5-4-8(3)6-9(10)11/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyAZJZKOZOQDXPBW-MRVPVSSYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1-propan-2-ylpiperidin-2-one?
The IUPAC name of (4R)-4-methyl-1-propan-2-ylpiperidin-2-one (CID 146189897) is (4R)-4-methyl-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for (4R)-4-methyl-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for (4R)-4-methyl-1-propan-2-ylpiperidin-2-one is CC(C)N1CC[C@@H](C)CC1=O.
What is the InChIKey of (4R)-4-methyl-1-propan-2-ylpiperidin-2-one?
The InChIKey is AZJZKOZOQDXPBW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)10-5-4-8(3)6-9(10)11/h7-8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (4R)-4-methyl-1-propan-2-ylpiperidin-2-one?
(4R)-4-methyl-1-propan-2-ylpiperidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 146189897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).