propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate

C12H24N2O2 — CID 63248775

IUPACpropan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate
SMILESCNCC1CCN(CC(=O)OC(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-10(2)16-12(15)9-14-6-4-11(5-7-14)8-13-3/h10-11,13H,4-9H2,1-3H3
InChIKeyWQDASPNQZXLIIU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds5

About propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate

propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate (PubChem CID 63248775) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate
PubChem CID63248775
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namepropan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate
SMILESCNCC1CCN(CC(=O)OC(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-10(2)16-12(15)9-14-6-4-11(5-7-14)8-13-3/h10-11,13H,4-9H2,1-3H3
InChIKeyWQDASPNQZXLIIU-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-(aziridin-1-yl)acetate
CID 59745119
propan-2-yl 2-[4-(3-chloro-3-oxopropyl)piperidin-1-yl]acetate
CID 21198545
2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248963
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63248872
propan-2-yl 2-piperidin-1-ylacetate
CID 44791468
N-(cyclopropylmethyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248525
propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
CID 63249964
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 63248800
N,N-diethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249005
propan-2-yl 2-thiomorpholin-4-ylacetate
CID 60775800
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119922349
propan-2-yl 2-(3-hydroxyazetidin-1-yl)acetate
CID 63282457

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate (CID 63248775) is propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate is CNCC1CCN(CC(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate?
The InChIKey is WQDASPNQZXLIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)16-12(15)9-14-6-4-11(5-7-14)8-13-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate?
propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate has a molecular weight of 228.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate is sourced from PubChem (CID 63248775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).