methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate

C12H22N2O2 — CID 79714267

IUPACmethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate
SMILESCOC(=O)CN(CC1CCNCC1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)9-14(11-2-3-11)8-10-4-6-13-7-5-10/h10-11,13H,2-9H2,1H3
InChIKeyCCADXCKRTRHLGE-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.62
Rot. Bonds5

About methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate

methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate (PubChem CID 79714267) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate
PubChem CID79714267
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate
SMILESCOC(=O)CN(CC1CCNCC1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)9-14(11-2-3-11)8-10-4-6-13-7-5-10/h10-11,13H,2-9H2,1H3
InChIKeyCCADXCKRTRHLGE-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
CID 80708543
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide
CID 79714454
methyl 3-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoate
CID 79717402
N-(2,2-dimethoxyethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 81090110
methyl 2-[cyclopentyl(oxolan-3-ylmethyl)amino]acetate
CID 80708077
N'-cyclopropyl-N,N-dimethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 79714194
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
CID 79715542
methyl 3-[piperidin-4-yl(propyl)amino]propanoate
CID 60806658
ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate
CID 120850265
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 103181621
methyl 4-[piperidin-4-yl(propyl)amino]butanoate
CID 54923740

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate (CID 79714267) is methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate is COC(=O)CN(CC1CCNCC1)C1CC1.
What is the InChIKey of methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate?
The InChIKey is CCADXCKRTRHLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-12(15)9-14(11-2-3-11)8-10-4-6-13-7-5-10/h10-11,13H,2-9H2,1H3.
What are the key properties of methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate?
methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate has a molecular weight of 226.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate is sourced from PubChem (CID 79714267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).