methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate

C13H24N2O2 — CID 43756890

IUPACmethyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate
SMILESCOC(=O)CNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-11(2)4-7-15-8-5-12(6-9-15)14-10-13(16)17-3/h4,12,14H,5-10H2,1-3H3
InChIKeyDFXGHRHWMRIRKZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds5

About methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate

methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate (PubChem CID 43756890) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate
PubChem CID43756890
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate
SMILESCOC(=O)CNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C13H24N2O2/c1-11(2)4-7-15-8-5-12(6-9-15)14-10-13(16)17-3/h4,12,14H,5-10H2,1-3H3
InChIKeyDFXGHRHWMRIRKZ-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-[(3-methylbut-2-enyl)piperidyl]acetate
CID 1607043
Methyl 2-[(1-methylpiperidin-4-yl)amino]acetate
CID 20703474
Methyl 2-[methyl(piperidin-4-yl)amino]acetate
CID 22378096
Methyl 2-[4-(methylamino)piperidin-1-yl]acetate
CID 67555710
Methyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate
CID 118531525
Methyl 2-[4-(propylamino)piperidin-1-yl]acetate
CID 145098140
Methyl 2-[(1-propan-2-ylpiperidin-4-yl)amino]acetate
CID 28431493
Methyl 2-[(1-ethylpiperidin-4-yl)amino]acetate
CID 28431499
Methyl 2-[(1-propylpiperidin-4-yl)amino]acetate
CID 28431513
N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]acetic acid
CID 43774232

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate (CID 43756890) is methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate is COC(=O)CNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate?
The InChIKey is DFXGHRHWMRIRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)4-7-15-8-5-12(6-9-15)14-10-13(16)17-3/h4,12,14H,5-10H2,1-3H3.
What are the key properties of methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate?
methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate has a molecular weight of 240.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate is sourced from PubChem (CID 43756890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).