1-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-one

C14H27NO — CID 126577043

IUPAC1-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO/c1-13(2,3)12(16)11-7-9-15(10-8-11)14(4,5)6/h11H,7-10H2,1-6H3
InChIKeyOVFWFCZTMYAXDS-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds1

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

1-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-one (PubChem CID 126577043) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-one
PubChem CID126577043
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H27NO/c1-13(2,3)12(16)11-7-9-15(10-8-11)14(4,5)6/h11H,7-10H2,1-6H3
InChIKeyOVFWFCZTMYAXDS-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-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-one (CID 126577043) is 1-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-one?
The InChIKey is OVFWFCZTMYAXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-13(2,3)12(16)11-7-9-15(10-8-11)14(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 1-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-one?
1-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-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-(1-tert-butylpiperidin-4-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126577043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).