1-(4-tert-butylpiperidin-1-yl)propan-2-one

C12H23NO — CID 58391443

IUPAC1-(4-tert-butylpiperidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H23NO/c1-10(14)9-13-7-5-11(6-8-13)12(2,3)4/h11H,5-9H2,1-4H3
InChIKeyWRYLHWLBYOOVGW-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds2

About 1-(4-tert-butylpiperidin-1-yl)propan-2-one

1-(4-tert-butylpiperidin-1-yl)propan-2-one (PubChem CID 58391443) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)propan-2-one
PubChem CID58391443
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(4-tert-butylpiperidin-1-yl)propan-2-one
SMILESCC(=O)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H23NO/c1-10(14)9-13-7-5-11(6-8-13)12(2,3)4/h11H,5-9H2,1-4H3
InChIKeyWRYLHWLBYOOVGW-UHFFFAOYSA-N
XLogP2.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
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)propan-2-one?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)propan-2-one (CID 58391443) is 1-(4-tert-butylpiperidin-1-yl)propan-2-one.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)propan-2-one?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)propan-2-one is CC(=O)CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)propan-2-one?
The InChIKey is WRYLHWLBYOOVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(14)9-13-7-5-11(6-8-13)12(2,3)4/h11H,5-9H2,1-4H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)propan-2-one?
1-(4-tert-butylpiperidin-1-yl)propan-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.33, 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)propan-2-one is sourced from PubChem (CID 58391443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).