methyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate

C15H27NO2 — CID 87439421

IUPACmethyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate
SMILESCOC(=O)/C(C)=C/C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C15H27NO2/c1-11(13(17)18-7)8-12-9-14(2,3)16(6)15(4,5)10-12/h8,12H,9-10H2,1-7H3/b11-8+
InChIKeyYDPBWKXFYADJOS-DHZHZOJOSA-N
MW253.39 g/mol
LogP3.00
Rot. Bonds2

About methyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate

methyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate (PubChem CID 87439421) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is methyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate
PubChem CID87439421
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Namemethyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate
SMILESCOC(=O)/C(C)=C/C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C15H27NO2/c1-11(13(17)18-7)8-12-9-14(2,3)16(6)15(4,5)10-12/h8,12H,9-10H2,1-7H3/b11-8+
InChIKeyYDPBWKXFYADJOS-DHZHZOJOSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.00
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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Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate?
The IUPAC name of methyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate (CID 87439421) is methyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate is COC(=O)/C(C)=C/C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of methyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate?
The InChIKey is YDPBWKXFYADJOS-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11(13(17)18-7)8-12-9-14(2,3)16(6)15(4,5)10-12/h8,12H,9-10H2,1-7H3/b11-8+.
What are the key properties of methyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate?
methyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate has a molecular weight of 253.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-methyl-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enoate is sourced from PubChem (CID 87439421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).