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

C14H25NO — CID 122675594

IUPAC2,2-dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one
SMILESC=C(C)N1CCC(C)(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H25NO/c1-11(2)15-9-7-14(6,8-10-15)12(16)13(3,4)5/h1,7-10H2,2-6H3
InChIKeyWHMFZTKCBOGMCR-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.24
Rot. Bonds2

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

2,2-dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one (PubChem CID 122675594) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one
PubChem CID122675594
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2,2-dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one
SMILESC=C(C)N1CCC(C)(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H25NO/c1-11(2)15-9-7-14(6,8-10-15)12(16)13(3,4)5/h1,7-10H2,2-6H3
InChIKeyWHMFZTKCBOGMCR-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-Methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]ethanone
CID 57798097
1-(1-Prop-1-en-2-ylpiperidin-4-yl)ethanone
CID 89174188
3,3-Dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one
CID 118282871
2,2-Dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one
CID 122675458
2-Methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one
CID 122675460
1-(4-Hydroxy-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one
CID 122675581
4-(2,2-Dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carboxamide
CID 122675582
1-(1-Ethenylpiperidin-4-yl)-2,2-dimethylpropan-1-one
CID 122675584
4-(2,2-Dimethylpropanoyl)-1-prop-1-en-2-ylpiperidine-4-carbonitrile
CID 122675585
1-(4-Amino-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one
CID 122675595
1-(4-Ethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one
CID 122675600
1-(1-But-1-en-2-ylpiperidin-4-yl)ethanone
CID 142835649

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one (CID 122675594) is 2,2-dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one is C=C(C)N1CCC(C)(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one?
The InChIKey is WHMFZTKCBOGMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)15-9-7-14(6,8-10-15)12(16)13(3,4)5/h1,7-10H2,2-6H3.
What are the key properties of 2,2-dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one?
2,2-dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 122675594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).