1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one

C15H27NO — CID 177325522

IUPAC1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one
SMILESC=C(C)N1CCC(C)(C(=O)C(C)(C)C)CC1C
InChIInChI=1S/C15H27NO/c1-11(2)16-9-8-15(7,10-12(16)3)13(17)14(4,5)6/h12H,1,8-10H2,2-7H3
InChIKeyQTCVVKQDWRCDAI-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.63
Rot. Bonds2

About 1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one

1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one (PubChem CID 177325522) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one
PubChem CID177325522
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one
SMILESC=C(C)N1CCC(C)(C(=O)C(C)(C)C)CC1C
InChIInChI=1S/C15H27NO/c1-11(2)16-9-8-15(7,10-12(16)3)13(17)14(4,5)6/h12H,1,8-10H2,2-7H3
InChIKeyQTCVVKQDWRCDAI-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one (CID 177325522) is 1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one is C=C(C)N1CCC(C)(C(=O)C(C)(C)C)CC1C.
What is the InChIKey of 1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one?
The InChIKey is QTCVVKQDWRCDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11(2)16-9-8-15(7,10-12(16)3)13(17)14(4,5)6/h12H,1,8-10H2,2-7H3.
What are the key properties of 1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one?
1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 177325522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).