(4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate

C18H28N2O3 — CID 67817437

IUPAC(4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate
SMILESCCON1CCC(N)(OC(=O)Cc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H28N2O3/c1-5-22-20-8-6-18(19,7-9-20)23-17(21)12-16-14(3)10-13(2)11-15(16)4/h10-11H,5-9,12,19H2,1-4H3
InChIKeyMJPXFLSGVMFANP-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.40
Rot. Bonds5

About (4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate

(4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate (PubChem CID 67817437) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate.

Molecular Properties

Compound Name(4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate
PubChem CID67817437
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate
SMILESCCON1CCC(N)(OC(=O)Cc2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H28N2O3/c1-5-22-20-8-6-18(19,7-9-20)23-17(21)12-16-14(3)10-13(2)11-15(16)4/h10-11H,5-9,12,19H2,1-4H3
InChIKeyMJPXFLSGVMFANP-UHFFFAOYSA-N
XLogP2.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Methoxy-4-[2-(2,4,6-trimethyl-phenyl)-acetoxy]-piperidine-4-carboxylic acid ethyl ester
CID 59584734
8-Methoxy-4-methyl-3-(2,3,4,6-tetramethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 59584751
(4-Carbamoyl-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate
CID 66793989
(2,4,6-Trimethyl-phenyl)-acetic acid 4-cyano-1-methoxy-piperidin-4-yl ester
CID 66794017
Ethyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate
CID 66797600
Methyl 1-ethoxy-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate
CID 66797658
Ethyl 1-methoxy-4-[2-(2,4,5-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate
CID 66797767
(4-Cyano-1-methoxypiperidin-4-yl) 2-(2,4,5-trimethylphenyl)acetate
CID 66797816
[4-Cyano-1-(2-methoxyethoxy)piperidin-4-yl] 2-(2,4,6-trimethylphenyl)acetate
CID 66797827
Ethyl 1-(2-methoxyethoxy)-4-[2-(2,4,6-trimethylphenyl)acetyl]oxypiperidine-4-carboxylate
CID 66797830
(4-Cyano-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate
CID 66797834
(4-Ethoxycarbonyloxy-1-methoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate
CID 66815252

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate?
The IUPAC name of (4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate (CID 67817437) is (4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate.
What is the SMILES notation for (4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate?
The canonical SMILES for (4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate is CCON1CCC(N)(OC(=O)Cc2c(C)cc(C)cc2C)CC1.
What is the InChIKey of (4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate?
The InChIKey is MJPXFLSGVMFANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-22-20-8-6-18(19,7-9-20)23-17(21)12-16-14(3)10-13(2)11-15(16)4/h10-11H,5-9,12,19H2,1-4H3.
What are the key properties of (4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate?
(4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate has a molecular weight of 320.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethoxypiperidin-4-yl) 2-(2,4,6-trimethylphenyl)acetate is sourced from PubChem (CID 67817437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).