methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate

C16H32N2O2 — CID 106708111

IUPACmethyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CCCCC(C)(C)CN
InChIInChI=1S/C16H32N2O2/c1-16(2,13-17)9-5-7-11-18-10-6-4-8-14(18)12-15(19)20-3/h14H,4-13,17H2,1-3H3
InChIKeyWZYPYBOUILRYKE-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.56
Rot. Bonds8

About methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate

methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate (PubChem CID 106708111) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate
PubChem CID106708111
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namemethyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1CCCCC(C)(C)CN
InChIInChI=1S/C16H32N2O2/c1-16(2,13-17)9-5-7-11-18-10-6-4-8-14(18)12-15(19)20-3/h14H,4-13,17H2,1-3H3
InChIKeyWZYPYBOUILRYKE-UHFFFAOYSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]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-(5,5-dimethylpiperidin-2-yl)acetate hydrochloride
CID 137944063
rac-methyl 2-methyl-2-[(2R,4S)-4-methylpiperidin-2-yl]propanoate
CID 165908130
Methyl 2-(5,5-dimethylpiperidin-2-yl)acetate
CID 137944064
methyl (2S)-2-[(2R)-piperidin-2-yl]propanoate
CID 12150842
Methyl 2-methyl-2-(piperidin-2-yl)propanoate
CID 13248580
Methyl 2-piperidin-2-ylpropanoate
CID 13778733
Ethyl 3-amino-2-(1-methylpiperidin-2-yl)propanoate
CID 171586842
[2-methyl-2-[(2R)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate
CID 174505516
[2-methyl-2-[(2S)-piperidin-2-yl]propanoyl] 2,2-dimethylpropanoate
CID 174505521
Methyl 2-(3-methylpiperidin-2-yl)acetate
CID 13778734
Methyl 2-[1-(1-aminopentan-3-yl)piperidin-2-yl]acetate
CID 55183450
methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
CID 61157077

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate (CID 106708111) is methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1CCCCC(C)(C)CN.
What is the InChIKey of methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate?
The InChIKey is WZYPYBOUILRYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-16(2,13-17)9-5-7-11-18-10-6-4-8-14(18)12-15(19)20-3/h14H,4-13,17H2,1-3H3.
What are the key properties of methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate?
methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate has a molecular weight of 284.44 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate is sourced from PubChem (CID 106708111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).