2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate

C13H23NO2 — CID 139415965

IUPAC2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN1CC(C)CC(C)C1
InChIInChI=1S/C13H23NO2/c1-10(2)13(15)16-6-5-14-8-11(3)7-12(4)9-14/h11-12H,1,5-9H2,2-4H3
InChIKeyJEEZJJGBYIAMEX-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.08
Rot. Bonds4

About 2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate

2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate (PubChem CID 139415965) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate
PubChem CID139415965
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN1CC(C)CC(C)C1
InChIInChI=1S/C13H23NO2/c1-10(2)13(15)16-6-5-14-8-11(3)7-12(4)9-14/h11-12H,1,5-9H2,2-4H3
InChIKeyJEEZJJGBYIAMEX-UHFFFAOYSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[3,5-bis[2-(2-methylprop-2-enoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl 2-methylprop-2-enoate
CID 18314417
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]ethanamine
CID 79478924
1-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]ethanone
CID 7380342
2-hydroxyethyl 2-methylprop-2-enoate sulfate
CID 20566074
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
[2-hydroxy-2-(3-methylcyclobutyl)ethyl] 2-methylprop-2-enoate
CID 175269764
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate (CID 139415965) is 2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is JEEZJJGBYIAMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)13(15)16-6-5-14-8-11(3)7-12(4)9-14/h11-12H,1,5-9H2,2-4H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate?
2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 225.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 139415965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).