3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one

C14H25NO — CID 118282871

IUPAC3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one
SMILESC=C(C)N1CCC(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H25NO/c1-11(2)15-8-6-12(7-9-15)10-13(16)14(3,4)5/h12H,1,6-10H2,2-5H3
InChIKeyNQRWGIPXEIILNW-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.24
Rot. Bonds3

About 3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one

3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one (PubChem CID 118282871) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one
PubChem CID118282871
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one
SMILESC=C(C)N1CCC(CC(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H25NO/c1-11(2)15-8-6-12(7-9-15)10-13(16)14(3,4)5/h12H,1,6-10H2,2-5H3
InChIKeyNQRWGIPXEIILNW-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

3,3-Dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one
CID 58870275
1-(1-Tert-butylpiperidin-4-yl)-3,3-dimethylbutan-2-one
CID 59616505
1-(1-Ethylpiperidin-4-yl)-3,3-dimethylbutan-2-one
CID 118282861
1-[1-(3-Ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one
CID 118282866
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
2,2-Dimethyl-1-(4-methyl-1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one
CID 122675594
1-(4-Ethyl-1-prop-1-en-2-ylpiperidin-4-yl)-2,2-dimethylpropan-1-one
CID 122675600
1-(1-Prop-1-en-2-ylpiperidin-4-yl)propan-2-one
CID 143814097
ethane;1-[(2S,5R)-5-methyl-1-prop-1-en-2-ylpiperidin-2-yl]ethanone
CID 145309325
1-(1,3-Dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one
CID 155131499
3,3-Dimethyl-1-[1-(2-methylpropyl)piperidin-4-yl]butan-2-one
CID 168079983

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one?
The IUPAC name of 3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one (CID 118282871) is 3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one?
The canonical SMILES for 3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one is C=C(C)N1CCC(CC(=O)C(C)(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one?
The InChIKey is NQRWGIPXEIILNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)15-8-6-12(7-9-15)10-13(16)14(3,4)5/h12H,1,6-10H2,2-5H3.
What are the key properties of 3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one?
3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)butan-2-one is sourced from PubChem (CID 118282871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).