ethyl 2-(3-tert-butylpiperidin-1-yl)acetate

C13H25NO2 — CID 176945818

IUPACethyl 2-(3-tert-butylpiperidin-1-yl)acetate
SMILESCCOC(=O)CN1CCCC(C(C)(C)C)C1
InChIInChI=1S/C13H25NO2/c1-5-16-12(15)10-14-8-6-7-11(9-14)13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyKVINZDYJCTZHLF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.31
Rot. Bonds3

About ethyl 2-(3-tert-butylpiperidin-1-yl)acetate

ethyl 2-(3-tert-butylpiperidin-1-yl)acetate (PubChem CID 176945818) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-(3-tert-butylpiperidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-tert-butylpiperidin-1-yl)acetate
PubChem CID176945818
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-(3-tert-butylpiperidin-1-yl)acetate
SMILESCCOC(=O)CN1CCCC(C(C)(C)C)C1
InChIInChI=1S/C13H25NO2/c1-5-16-12(15)10-14-8-6-7-11(9-14)13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyKVINZDYJCTZHLF-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl (4-methylpiperidin-1-yl)acetate
CID 22197704
(4-Methyl-piperidin-1-yl)-acetic acid, methyl ester
CID 6422211
Ethyl 2-(1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl)acetate
CID 14603
Methyl 2-[4-(diethylaminomethyl)piperidin-1-yl]acetate
CID 47039762
Methyl 2-(3,5-dimethylpiperidin-1-yl)acetate
CID 17282579
Methyl 2-(4,4-dimethylpiperidin-1-yl)acetate
CID 18736360
2-[4-(4-Methylpentyl)morpholin-4-ium-4-yl]acetic acid
CID 20671716
Ethyl 2-(2,4-dimethylpiperidin-1-yl)acetate
CID 20795185
Ethyl (3-methylpiperidin-1-yl)acetate
CID 22197786
Ethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate
CID 22754596
Methyl 2-[4-(2-methylpropyl)piperidin-1-yl]acetate
CID 23562718
Ethyl 2-(3-methylpiperidin-1-yl)propanoate
CID 25219169

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-tert-butylpiperidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-tert-butylpiperidin-1-yl)acetate (CID 176945818) is ethyl 2-(3-tert-butylpiperidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-tert-butylpiperidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-tert-butylpiperidin-1-yl)acetate is CCOC(=O)CN1CCCC(C(C)(C)C)C1.
What is the InChIKey of ethyl 2-(3-tert-butylpiperidin-1-yl)acetate?
The InChIKey is KVINZDYJCTZHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-16-12(15)10-14-8-6-7-11(9-14)13(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of ethyl 2-(3-tert-butylpiperidin-1-yl)acetate?
ethyl 2-(3-tert-butylpiperidin-1-yl)acetate has a molecular weight of 227.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-tert-butylpiperidin-1-yl)acetate is sourced from PubChem (CID 176945818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).