propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate

C12H24N2O2 — CID 106637068

IUPACpropan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate
SMILESCC(C)OC(=O)CN(C)CC1CCCNC1
InChIInChI=1S/C12H24N2O2/c1-10(2)16-12(15)9-14(3)8-11-5-4-6-13-7-11/h10-11,13H,4-9H2,1-3H3
InChIKeyFCTPDRPVAHBBRN-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds5

About propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate

propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate (PubChem CID 106637068) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate
PubChem CID106637068
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namepropan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate
SMILESCC(C)OC(=O)CN(C)CC1CCCNC1
InChIInChI=1S/C12H24N2O2/c1-10(2)16-12(15)9-14(3)8-11-5-4-6-13-7-11/h10-11,13H,4-9H2,1-3H3
InChIKeyFCTPDRPVAHBBRN-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

N-cyclohexyl-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636311
4-[methyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 115741590
1-(4-methylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636288
1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636866
methyl 2-[piperidin-3-ylmethyl(propan-2-yl)sulfamoyl]acetate
CID 106630937
N-(2-methylbutan-2-yl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636496
2-(dimethylamino)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106627954
N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
N-(piperidin-3-ylmethyl)-N-propan-2-yl-2-propan-2-yloxyacetamide
CID 106628870
2-[methyl(piperidin-3-ylmethyl)amino]-1-morpholin-4-ylethanone;hydrochloride
CID 119930321
butan-2-yl 2-piperidin-3-ylacetate
CID 62690309

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate?
The IUPAC name of propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate (CID 106637068) is propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate.
What is the SMILES notation for propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate?
The canonical SMILES for propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate is CC(C)OC(=O)CN(C)CC1CCCNC1.
What is the InChIKey of propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate?
The InChIKey is FCTPDRPVAHBBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)16-12(15)9-14(3)8-11-5-4-6-13-7-11/h10-11,13H,4-9H2,1-3H3.
What are the key properties of propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate?
propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]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-[methyl(piperidin-3-ylmethyl)amino]acetate is sourced from PubChem (CID 106637068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).