(1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate

C12H21NO2 — CID 159494811

IUPAC(1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate
SMILESC=C1CC(COC(=O)C(C)C)CCN1C
InChIInChI=1S/C12H21NO2/c1-9(2)12(14)15-8-11-5-6-13(4)10(3)7-11/h9,11H,3,5-8H2,1-2,4H3
InChIKeyWUAKRDPZKJEXQY-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.04
Rot. Bonds3

About (1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate

(1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate (PubChem CID 159494811) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is (1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate.

Molecular Properties

Compound Name(1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate
PubChem CID159494811
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name(1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate
SMILESC=C1CC(COC(=O)C(C)C)CCN1C
InChIInChI=1S/C12H21NO2/c1-9(2)12(14)15-8-11-5-6-13(4)10(3)7-11/h9,11H,3,5-8H2,1-2,4H3
InChIKeyWUAKRDPZKJEXQY-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylidenecyclohexyl)methyl 2-methylpropanoate
CID 147453211
cyclopentylmethyl 2-methylpropanoate
CID 21063892
(4-propylcyclohexyl)methyl 2-methylpropanoate
CID 175906302
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
(3-hydroxy-1-methyl-2-oxo-1,3-diazinan-4-yl) 2-methylpropanoate
CID 155406510
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
cyclopropylmethyl 2-sulfanylpropanoate
CID 107018198
(3-methylidenecyclohexyl)methyl 2,2-dimethylpropanoate
CID 89147948
cyclopropylmethyl methyl carbonate
CID 54535586
(1-methylpyrrolidin-3-yl) 2-methylpropanoate
CID 58333474
(1-methylpiperidin-3-yl)methyl 3-hydroxy-2-phenylbutanoate
CID 154127147
[1-(2-methylpropyl)piperidin-4-yl]methyl 3-methylbutanoate
CID 176612204

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate?
The IUPAC name of (1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate (CID 159494811) is (1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate.
What is the SMILES notation for (1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate?
The canonical SMILES for (1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate is C=C1CC(COC(=O)C(C)C)CCN1C.
What is the InChIKey of (1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate?
The InChIKey is WUAKRDPZKJEXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)12(14)15-8-11-5-6-13(4)10(3)7-11/h9,11H,3,5-8H2,1-2,4H3.
What are the key properties of (1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate?
(1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate has a molecular weight of 211.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-methylidenepiperidin-4-yl)methyl 2-methylpropanoate is sourced from PubChem (CID 159494811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).