2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one

C13H25NO — CID 135010688

IUPAC2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CC(C)CCN1C(=O)C(C)C
InChIInChI=1S/C13H25NO/c1-5-6-12-9-11(4)7-8-14(12)13(15)10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyRLHUWDVMGRHCEB-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.07
Rot. Bonds3

About 2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one

2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one (PubChem CID 135010688) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one
PubChem CID135010688
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one
SMILESCCCC1CC(C)CCN1C(=O)C(C)C
InChIInChI=1S/C13H25NO/c1-5-6-12-9-11(4)7-8-14(12)13(15)10(2)3/h10-12H,5-9H2,1-4H3
InChIKeyRLHUWDVMGRHCEB-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one (CID 135010688) is 2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one is CCCC1CC(C)CCN1C(=O)C(C)C.
What is the InChIKey of 2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one?
The InChIKey is RLHUWDVMGRHCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-6-12-9-11(4)7-8-14(12)13(15)10(2)3/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one?
2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one has a molecular weight of 211.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-2-propylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 135010688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).