methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate

C17H33NO2 — CID 20714215

IUPACmethyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate
SMILESCOC(=O)C(C)(C)C(C)C(C)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H33NO2/c1-13(16(3,4)15(19)20-7)14(2)17(5,6)18-11-9-8-10-12-18/h13-14H,8-12H2,1-7H3
InChIKeyPOJKABNSOVLRJC-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.72
Rot. Bonds5

About methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate

methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate (PubChem CID 20714215) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate.

Molecular Properties

Compound Namemethyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate
PubChem CID20714215
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Namemethyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate
SMILESCOC(=O)C(C)(C)C(C)C(C)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H33NO2/c1-13(16(3,4)15(19)20-7)14(2)17(5,6)18-11-9-8-10-12-18/h13-14H,8-12H2,1-7H3
InChIKeyPOJKABNSOVLRJC-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1,4-diazepan-1-yl)-2,3-dimethylbutanoate
CID 62488796
methyl 2,2-diphenyl-2-pyrrolidin-1-ylacetate
CID 90989848
methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate
CID 79623548
2-[[2-(azepan-1-yl)-2-methylpropanoyl]amino]propanoic acid
CID 82042271
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
dimethyl 3-amino-2,2,4,4-tetramethylpentanedioate
CID 105489493
2,3-dimethyl-3-pyrrolidin-1-ylbutanal
CID 175610716
methyl (3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propanoate
CID 171252016
dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate;methane
CID 161413673
methyl (3R)-3-amino-2,2,4-trimethylpentanoate;hydrochloride
CID 146049302
3-methyl-1-propan-2-yloxy-3-pyrrolidin-1-ylbutan-2-ol
CID 79568014
2-(azepan-1-yl)-3-methoxy-2-methylpropanoic acid
CID 62535285

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate?
The IUPAC name of methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate (CID 20714215) is methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate.
What is the SMILES notation for methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate?
The canonical SMILES for methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate is COC(=O)C(C)(C)C(C)C(C)C(C)(C)N1CCCCC1.
What is the InChIKey of methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate?
The InChIKey is POJKABNSOVLRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-13(16(3,4)15(19)20-7)14(2)17(5,6)18-11-9-8-10-12-18/h13-14H,8-12H2,1-7H3.
What are the key properties of methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate?
methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate has a molecular weight of 283.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,3,4,5-pentamethyl-5-piperidin-1-ylhexanoate is sourced from PubChem (CID 20714215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).