1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one

C15H29NO — CID 62091102

IUPAC1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO/c1-14(2,3)12-7-9-16(10-8-12)11-13(17)15(4,5)6/h12H,7-11H2,1-6H3
InChIKeyWWSGDEQZCROZDQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds2

About 1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one

1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one (PubChem CID 62091102) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one
PubChem CID62091102
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO/c1-14(2,3)12-7-9-16(10-8-12)11-13(17)15(4,5)6/h12H,7-11H2,1-6H3
InChIKeyWWSGDEQZCROZDQ-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one (CID 62091102) is 1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
The InChIKey is WWSGDEQZCROZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)12-7-9-16(10-8-12)11-13(17)15(4,5)6/h12H,7-11H2,1-6H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one has a molecular weight of 239.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 62091102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).