[4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate

C19H32N2O3 — CID 23326846

IUPAC[4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(C)(C#N)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C19H32N2O3/c1-15(2)16(22)23-13-9-12-19(7,14-20)24-21-17(3,4)10-8-11-18(21,5)6/h1,8-13H2,2-7H3
InChIKeyJBPNNOWANSUTIA-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.14
Rot. Bonds7

About [4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate

[4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate (PubChem CID 23326846) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is [4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate
PubChem CID23326846
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name[4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(C)(C#N)ON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C19H32N2O3/c1-15(2)16(22)23-13-9-12-19(7,14-20)24-21-17(3,4)10-8-11-18(21,5)6/h1,8-13H2,2-7H3
InChIKeyJBPNNOWANSUTIA-UHFFFAOYSA-N
XLogP4.14
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

23,23-dimethyltetracosyl 2-methylprop-2-enoate
CID 178182049
tris(cyclododecane);[1-(hydroxymethyl)cyclododecyl]methyl 2-methylprop-2-enoate
CID 70385774
2-[1-(2-hydroxyethyl)cyclodecyl]ethyl 2-methylprop-2-enoate
CID 66606377
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
1-[4-(2-methylprop-2-enoyloxy)butoxycarbonyl]cyclohexane-1-carboxylic acid
CID 141441045
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
[2-(1-methylcyclohexyl)-2-oxoethyl] 2-methylprop-2-enoate
CID 68781991
[3-(1-methylcyclopentyl)-3-oxopropyl] 2-methylprop-2-enoate;propane
CID 144690774
5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
(4-methyl-4-silyloxysilylpentyl) 2-methylprop-2-enoate
CID 173295431
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 122518361

Frequently Asked Questions

What is the IUPAC name of [4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate?
The IUPAC name of [4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate (CID 23326846) is [4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC(C)(C#N)ON1C(C)(C)CCCC1(C)C.
What is the InChIKey of [4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate?
The InChIKey is JBPNNOWANSUTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-15(2)16(22)23-13-9-12-19(7,14-20)24-21-17(3,4)10-8-11-18(21,5)6/h1,8-13H2,2-7H3.
What are the key properties of [4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate?
[4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate has a molecular weight of 336.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyano-4-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 23326846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).