2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one

C13H25NO — CID 58269996

IUPAC2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one
SMILESCC(C)N1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-10(2)14-8-6-11(7-9-14)12(15)13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyWVSGLKJIYHHPRL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds2

About 2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one

2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one (PubChem CID 58269996) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one
PubChem CID58269996
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one
SMILESCC(C)N1CCC(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-10(2)14-8-6-11(7-9-14)12(15)13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyWVSGLKJIYHHPRL-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one (CID 58269996) is 2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one is CC(C)N1CCC(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one?
The InChIKey is WVSGLKJIYHHPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)14-8-6-11(7-9-14)12(15)13(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one?
2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-propan-2-ylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 58269996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).