(2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one

C10H19NO — CID 746694

IUPAC(2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one
SMILESCC(C)[C@H]1C(=O)C[C@H](C)CN1C
InChIInChI=1S/C10H19NO/c1-7(2)10-9(12)5-8(3)6-11(10)4/h7-8,10H,5-6H2,1-4H3/t8-,10-/m0/s1
InChIKeyALCOISCHVBFFNS-WPRPVWTQSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds1

About (2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one

(2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one (PubChem CID 746694) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one.

Molecular Properties

Compound Name(2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one
PubChem CID746694
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one
SMILESCC(C)[C@H]1C(=O)C[C@H](C)CN1C
InChIInChI=1S/C10H19NO/c1-7(2)10-9(12)5-8(3)6-11(10)4/h7-8,10H,5-6H2,1-4H3/t8-,10-/m0/s1
InChIKeyALCOISCHVBFFNS-WPRPVWTQSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one?
The IUPAC name of (2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one (CID 746694) is (2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one.
What is the SMILES notation for (2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one?
The canonical SMILES for (2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one is CC(C)[C@H]1C(=O)C[C@H](C)CN1C.
What is the InChIKey of (2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one?
The InChIKey is ALCOISCHVBFFNS-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)10-9(12)5-8(3)6-11(10)4/h7-8,10H,5-6H2,1-4H3/t8-,10-/m0/s1.
What are the key properties of (2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one?
(2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1,5-dimethyl-2-propan-2-ylpiperidin-3-one is sourced from PubChem (CID 746694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).