1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one

C14H27NO — CID 4290475

IUPAC1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one
SMILESCC(C)(C)CC1CC(=O)CN(C(C)(C)C)C1
InChIInChI=1S/C14H27NO/c1-13(2,3)8-11-7-12(16)10-15(9-11)14(4,5)6/h11H,7-10H2,1-6H3
InChIKeyOCXUPWFMQASWJL-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds1

About 1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one

1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one (PubChem CID 4290475) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one.

Molecular Properties

Compound Name1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one
PubChem CID4290475
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one
SMILESCC(C)(C)CC1CC(=O)CN(C(C)(C)C)C1
InChIInChI=1S/C14H27NO/c1-13(2,3)8-11-7-12(16)10-15(9-11)14(4,5)6/h11H,7-10H2,1-6H3
InChIKeyOCXUPWFMQASWJL-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one?
The IUPAC name of 1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one (CID 4290475) is 1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one.
What is the SMILES notation for 1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one?
The canonical SMILES for 1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one is CC(C)(C)CC1CC(=O)CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one?
The InChIKey is OCXUPWFMQASWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2,3)8-11-7-12(16)10-15(9-11)14(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one?
1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one has a molecular weight of 225.38 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(2,2-dimethylpropyl)piperidin-3-one is sourced from PubChem (CID 4290475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).