2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one

C13H26N2O — CID 22893154

IUPAC2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one
SMILESCC(C)NC1(C(=O)C(C)C)CCN(C)CC1
InChIInChI=1S/C13H26N2O/c1-10(2)12(16)13(14-11(3)4)6-8-15(5)9-7-13/h10-11,14H,6-9H2,1-5H3
InChIKeyJJGFVAXXIGRSAK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.67
Rot. Bonds4

About 2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one

2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one (PubChem CID 22893154) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one
PubChem CID22893154
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one
SMILESCC(C)NC1(C(=O)C(C)C)CCN(C)CC1
InChIInChI=1S/C13H26N2O/c1-10(2)12(16)13(14-11(3)4)6-8-15(5)9-7-13/h10-11,14H,6-9H2,1-5H3
InChIKeyJJGFVAXXIGRSAK-UHFFFAOYSA-N
XLogP1.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one (CID 22893154) is 2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one is CC(C)NC1(C(=O)C(C)C)CCN(C)CC1.
What is the InChIKey of 2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one?
The InChIKey is JJGFVAXXIGRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)12(16)13(14-11(3)4)6-8-15(5)9-7-13/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one?
2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one has a molecular weight of 226.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-methyl-4-(propan-2-ylamino)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 22893154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).