(4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one

C11H21NO — CID 145215661

IUPAC(4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one
SMILESCC1NC(=O)C[C@@](C)(C(C)C)C1C
InChIInChI=1S/C11H21NO/c1-7(2)11(5)6-10(13)12-9(4)8(11)3/h7-9H,6H2,1-5H3,(H,12,13)/t8?,9?,11-/m0/s1
InChIKeyMCLCEYVXQUNDPE-AMUVOQDHSA-N
MW183.29 g/mol
LogP2.19
Rot. Bonds1

About (4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one

(4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one (PubChem CID 145215661) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one
PubChem CID145215661
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one
SMILESCC1NC(=O)C[C@@](C)(C(C)C)C1C
InChIInChI=1S/C11H21NO/c1-7(2)11(5)6-10(13)12-9(4)8(11)3/h7-9H,6H2,1-5H3,(H,12,13)/t8?,9?,11-/m0/s1
InChIKeyMCLCEYVXQUNDPE-AMUVOQDHSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one?
The IUPAC name of (4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one (CID 145215661) is (4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one.
What is the SMILES notation for (4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one?
The canonical SMILES for (4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one is CC1NC(=O)C[C@@](C)(C(C)C)C1C.
What is the InChIKey of (4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one?
The InChIKey is MCLCEYVXQUNDPE-AMUVOQDHSA-N. The full InChI is InChI=1S/C11H21NO/c1-7(2)11(5)6-10(13)12-9(4)8(11)3/h7-9H,6H2,1-5H3,(H,12,13)/t8?,9?,11-/m0/s1.
What are the key properties of (4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one?
(4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5,6-trimethyl-4-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 145215661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).