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

C12H24N2O2 — CID 63249964

IUPACpropan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
SMILESCNCC1CCCCN1CC(=O)OC(C)C
InChIInChI=1S/C12H24N2O2/c1-10(2)16-12(15)9-14-7-5-4-6-11(14)8-13-3/h10-11,13H,4-9H2,1-3H3
InChIKeyBIKAOHHHURKJHZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds5

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

propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate (PubChem CID 63249964) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
PubChem CID63249964
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namepropan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
SMILESCNCC1CCCCN1CC(=O)OC(C)C
InChIInChI=1S/C12H24N2O2/c1-10(2)16-12(15)9-14-7-5-4-6-11(14)8-13-3/h10-11,13H,4-9H2,1-3H3
InChIKeyBIKAOHHHURKJHZ-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate
CID 61068973
methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate
CID 63250167
propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255309
propan-2-yl 2-[4-(methylaminomethyl)piperidin-1-yl]acetate
CID 63248775
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide;hydrochloride
CID 119928311
2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 63249850
N-methyl-1-[1-(2-methylidenebutyl)piperidin-2-yl]methanamine
CID 66044070
methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate
CID 62028449
N-cyclopropyl-N-ethyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250442
propan-2-yl 3-[2-(hydroxymethyl)piperidin-1-yl]propanoate
CID 111487463
2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide
CID 63250347

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate (CID 63249964) is propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate is CNCC1CCCCN1CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate?
The InChIKey is BIKAOHHHURKJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)16-12(15)9-14-7-5-4-6-11(14)8-13-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate?
propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 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-[2-(methylaminomethyl)piperidin-1-yl]acetate is sourced from PubChem (CID 63249964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).