(2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate

C14H25NO3 — CID 101373916

IUPAC(2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate
SMILESC=CCON1C(C)(C)CC(OC(C)=O)CC1(C)C
InChIInChI=1S/C14H25NO3/c1-7-8-17-15-13(3,4)9-12(18-11(2)16)10-14(15,5)6/h7,12H,1,8-10H2,2-6H3
InChIKeyVEKYKAWCXOKLRF-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.69
Rot. Bonds4

About (2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate

(2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate (PubChem CID 101373916) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate.

Molecular Properties

Compound Name(2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate
PubChem CID101373916
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate
SMILESC=CCON1C(C)(C)CC(OC(C)=O)CC1(C)C
InChIInChI=1S/C14H25NO3/c1-7-8-17-15-13(3,4)9-12(18-11(2)16)10-14(15,5)6/h7,12H,1,8-10H2,2-6H3
InChIKeyVEKYKAWCXOKLRF-UHFFFAOYSA-N
XLogP2.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate?
The IUPAC name of (2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate (CID 101373916) is (2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate.
What is the SMILES notation for (2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate?
The canonical SMILES for (2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate is C=CCON1C(C)(C)CC(OC(C)=O)CC1(C)C.
What is the InChIKey of (2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate?
The InChIKey is VEKYKAWCXOKLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-7-8-17-15-13(3,4)9-12(18-11(2)16)10-14(15,5)6/h7,12H,1,8-10H2,2-6H3.
What are the key properties of (2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate?
(2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate has a molecular weight of 255.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate is sourced from PubChem (CID 101373916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).