(2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one

C10H19NO — CID 5200421

IUPAC(2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one
SMILESCC(C)N1C[C@@H](C)C(=O)C[C@@H]1C
InChIInChI=1S/C10H19NO/c1-7(2)11-6-8(3)10(12)5-9(11)4/h7-9H,5-6H2,1-4H3/t8-,9+/m1/s1
InChIKeyACIGJEVTDRNMEJ-BDAKNGLRSA-N
MW169.27 g/mol
LogP1.69
Rot. Bonds1

About (2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one

(2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one (PubChem CID 5200421) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one
PubChem CID5200421
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one
SMILESCC(C)N1C[C@@H](C)C(=O)C[C@@H]1C
InChIInChI=1S/C10H19NO/c1-7(2)11-6-8(3)10(12)5-9(11)4/h7-9H,5-6H2,1-4H3/t8-,9+/m1/s1
InChIKeyACIGJEVTDRNMEJ-BDAKNGLRSA-N
XLogP1.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one?
The IUPAC name of (2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one (CID 5200421) is (2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one.
What is the SMILES notation for (2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one?
The canonical SMILES for (2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one is CC(C)N1C[C@@H](C)C(=O)C[C@@H]1C.
What is the InChIKey of (2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one?
The InChIKey is ACIGJEVTDRNMEJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)11-6-8(3)10(12)5-9(11)4/h7-9H,5-6H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of (2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one?
(2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one has a molecular weight of 169.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethyl-1-propan-2-ylpiperidin-4-one is sourced from PubChem (CID 5200421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).