1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate

C16H29NO2 — CID 139619255

IUPAC1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C16H29NO2/c1-7-13(19-14(18)8-2)12-17-15(3,4)10-9-11-16(17,5)6/h8,13H,2,7,9-12H2,1,3-6H3
InChIKeyWPMUJEHBBMNSHG-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.54
Rot. Bonds5

About 1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate

1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate (PubChem CID 139619255) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate
PubChem CID139619255
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C16H29NO2/c1-7-13(19-14(18)8-2)12-17-15(3,4)10-9-11-16(17,5)6/h8,13H,2,7,9-12H2,1,3-6H3
InChIKeyWPMUJEHBBMNSHG-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.54
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 1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate?
The IUPAC name of 1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate (CID 139619255) is 1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate.
What is the SMILES notation for 1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate?
The canonical SMILES for 1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate is C=CC(=O)OC(CC)CN1C(C)(C)CCCC1(C)C.
What is the InChIKey of 1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate?
The InChIKey is WPMUJEHBBMNSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-7-13(19-14(18)8-2)12-17-15(3,4)10-9-11-16(17,5)6/h8,13H,2,7,9-12H2,1,3-6H3.
What are the key properties of 1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate?
1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate has a molecular weight of 267.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,6,6-tetramethylpiperidin-1-yl)butan-2-yl prop-2-enoate is sourced from PubChem (CID 139619255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).