methyl 2-(3,5-dimethylpiperidin-1-yl)acetate

C10H19NO2 — CID 17282579

IUPACmethyl 2-(3,5-dimethylpiperidin-1-yl)acetate
SMILESCOC(=O)CN1CC(C)CC(C)C1
InChIInChI=1S/C10H19NO2/c1-8-4-9(2)6-11(5-8)7-10(12)13-3/h8-9H,4-7H2,1-3H3
InChIKeyAYKLYBCUWFYEEU-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.14
Rot. Bonds2

About methyl 2-(3,5-dimethylpiperidin-1-yl)acetate

methyl 2-(3,5-dimethylpiperidin-1-yl)acetate (PubChem CID 17282579) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-(3,5-dimethylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dimethylpiperidin-1-yl)acetate
PubChem CID17282579
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-(3,5-dimethylpiperidin-1-yl)acetate
SMILESCOC(=O)CN1CC(C)CC(C)C1
InChIInChI=1S/C10H19NO2/c1-8-4-9(2)6-11(5-8)7-10(12)13-3/h8-9H,4-7H2,1-3H3
InChIKeyAYKLYBCUWFYEEU-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperidineacetic acid, ethyl ester
CID 643466
1-(2-Ethoxy-2-oxoethyl)-1-ethylpiperidin-1-ium bromide
CID 3048283
Propionic acid, 2-methyl-2-piperidino-, methyl ester
CID 3058841
Methyl 2-(4-(trifluoromethyl)piperidin-1-yl)acetate
CID 42544309
1-(2-Ethoxy-2-oxoethyl)-1-methylpiperidin-1-ium iodide
CID 102357
2-(3-Ethylpiperidin-1-yl)acetic acid
CID 21839704
Methyl 2-(4-acetylpiperidin-1-yl)acetate
CID 57941101
(3-Methylpiperidin-1-yl)acetic acid
CID 3163244
Piperidin-1-yl-acetic acid, methyl ester
CID 6421770
Methyl alpha-methyl-1-piperidineacetate
CID 12957458
Methyl 2-(4-acetylpiperidin-1-yl)acetate hydrochloride
CID 165980617
Ethyl (4-methylpiperidin-1-yl)acetate
CID 22197704

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dimethylpiperidin-1-yl)acetate?
The IUPAC name of methyl 2-(3,5-dimethylpiperidin-1-yl)acetate (CID 17282579) is methyl 2-(3,5-dimethylpiperidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3,5-dimethylpiperidin-1-yl)acetate?
The canonical SMILES for methyl 2-(3,5-dimethylpiperidin-1-yl)acetate is COC(=O)CN1CC(C)CC(C)C1.
What is the InChIKey of methyl 2-(3,5-dimethylpiperidin-1-yl)acetate?
The InChIKey is AYKLYBCUWFYEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-4-9(2)6-11(5-8)7-10(12)13-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 2-(3,5-dimethylpiperidin-1-yl)acetate?
methyl 2-(3,5-dimethylpiperidin-1-yl)acetate has a molecular weight of 185.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dimethylpiperidin-1-yl)acetate is sourced from PubChem (CID 17282579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).