1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one

C16H29NO — CID 176659240

IUPAC1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one
SMILESC=C(CC(C)(C)C)N1CCC(CC(=O)CC)CC1
InChIInChI=1S/C16H29NO/c1-6-15(18)11-14-7-9-17(10-8-14)13(2)12-16(3,4)5/h14H,2,6-12H2,1,3-5H3
InChIKeyJVXQKCNXLABCJN-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.02
Rot. Bonds5

About 1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one

1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one (PubChem CID 176659240) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one.

Molecular Properties

Compound Name1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one
PubChem CID176659240
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one
SMILESC=C(CC(C)(C)C)N1CCC(CC(=O)CC)CC1
InChIInChI=1S/C16H29NO/c1-6-15(18)11-14-7-9-17(10-8-14)13(2)12-16(3,4)5/h14H,2,6-12H2,1,3-5H3
InChIKeyJVXQKCNXLABCJN-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-Dimethylpiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one
CID 21679361
1-[4-Methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]ethanone
CID 57798097
1-[1-(3-Ethylpent-1-en-2-yl)piperidin-4-yl]-3,3-dimethylbutan-2-one
CID 118282866
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
2,2-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
3-Butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one
CID 143658692
ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione
CID 143764109
1-(1-Prop-1-en-2-ylpiperidin-4-yl)propan-2-one
CID 143814097
1-(1,3-Dimethyl-2-methylidenepiperidin-3-yl)pent-4-en-1-one
CID 155131499
1-[(3S)-1,3-dipropylpiperidin-3-yl]-3-methylbut-3-en-1-one
CID 176977078

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one?
The IUPAC name of 1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one (CID 176659240) is 1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one.
What is the SMILES notation for 1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one?
The canonical SMILES for 1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one is C=C(CC(C)(C)C)N1CCC(CC(=O)CC)CC1.
What is the InChIKey of 1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one?
The InChIKey is JVXQKCNXLABCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-6-15(18)11-14-7-9-17(10-8-14)13(2)12-16(3,4)5/h14H,2,6-12H2,1,3-5H3.
What are the key properties of 1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one?
1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one has a molecular weight of 251.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4-dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one is sourced from PubChem (CID 176659240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).