3,5-dimethyl-1-propan-2-ylpiperidin-4-one

C10H19NO — CID 59563444

IUPAC3,5-dimethyl-1-propan-2-ylpiperidin-4-one
SMILESCC1CN(C(C)C)CC(C)C1=O
InChIInChI=1S/C10H19NO/c1-7(2)11-5-8(3)10(12)9(4)6-11/h7-9H,5-6H2,1-4H3
InChIKeyBYKOKAXAJDIMAE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds1

About 3,5-dimethyl-1-propan-2-ylpiperidin-4-one

3,5-dimethyl-1-propan-2-ylpiperidin-4-one (PubChem CID 59563444) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-ylpiperidin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-ylpiperidin-4-one
PubChem CID59563444
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3,5-dimethyl-1-propan-2-ylpiperidin-4-one
SMILESCC1CN(C(C)C)CC(C)C1=O
InChIInChI=1S/C10H19NO/c1-7(2)11-5-8(3)10(12)9(4)6-11/h7-9H,5-6H2,1-4H3
InChIKeyBYKOKAXAJDIMAE-UHFFFAOYSA-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 3,5-dimethyl-1-propan-2-ylpiperidin-4-one?
The IUPAC name of 3,5-dimethyl-1-propan-2-ylpiperidin-4-one (CID 59563444) is 3,5-dimethyl-1-propan-2-ylpiperidin-4-one.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-ylpiperidin-4-one?
The canonical SMILES for 3,5-dimethyl-1-propan-2-ylpiperidin-4-one is CC1CN(C(C)C)CC(C)C1=O.
What is the InChIKey of 3,5-dimethyl-1-propan-2-ylpiperidin-4-one?
The InChIKey is BYKOKAXAJDIMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)11-5-8(3)10(12)9(4)6-11/h7-9H,5-6H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-propan-2-ylpiperidin-4-one?
3,5-dimethyl-1-propan-2-ylpiperidin-4-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 3,5-dimethyl-1-propan-2-ylpiperidin-4-one is sourced from PubChem (CID 59563444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).