1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone

C13H25NO — CID 58745701

IUPAC1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(C)C)(C(C)C)C1
InChIInChI=1S/C13H25NO/c1-10(2)13(11(3)4)7-6-8-14(9-13)12(5)15/h10-11H,6-9H2,1-5H3
InChIKeyMQYDIWYRDHSNOL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.93
Rot. Bonds2

About 1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone

1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone (PubChem CID 58745701) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone
PubChem CID58745701
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(C(C)C)(C(C)C)C1
InChIInChI=1S/C13H25NO/c1-10(2)13(11(3)4)7-6-8-14(9-13)12(5)15/h10-11H,6-9H2,1-5H3
InChIKeyMQYDIWYRDHSNOL-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone (CID 58745701) is 1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(C(C)C)(C(C)C)C1.
What is the InChIKey of 1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone?
The InChIKey is MQYDIWYRDHSNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)13(11(3)4)7-6-8-14(9-13)12(5)15/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone?
1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone has a molecular weight of 211.35 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-di(propan-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 58745701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).