methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate

C15H33NO2 — CID 157124650

IUPACmethane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate
SMILESC.C.CCC(C)(C)C(=O)OCCN1CCCCC1
InChIInChI=1S/C13H25NO2.2CH4/c1-4-13(2,3)12(15)16-11-10-14-8-6-5-7-9-14;;/h4-11H2,1-3H3;2*1H4
InChIKeyAIJGRAKIYGOZHR-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.72
Rot. Bonds5

About methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate

methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate (PubChem CID 157124650) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Namemethane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate
PubChem CID157124650
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Namemethane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate
SMILESC.C.CCC(C)(C)C(=O)OCCN1CCCCC1
InChIInChI=1S/C13H25NO2.2CH4/c1-4-13(2,3)12(15)16-11-10-14-8-6-5-7-9-14;;/h4-11H2,1-3H3;2*1H4
InChIKeyAIJGRAKIYGOZHR-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-(2-hydroxyethyl) 6-O-(2-piperidin-1-ylethyl) 2,5-diethyl-2,5-dimethylhexanedioate
CID 58836402
undecyl 2,2-dimethyl-6-pyrrolidin-1-ylhexanoate
CID 170975773
2-morpholin-4-ylethyl 2,2-dimethylpropanoate;3-piperidin-1-ylpropyl 2,2-dimethylpropanoate
CID 158258538
2-piperidin-1-ylethyl 2-methylbutanoate
CID 20697106
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
2-(2,5-dioxopyrrol-1-yl)ethyl 2,2-dimethylbutanoate
CID 59095461
2-piperidin-1-ylethyl hexanoate
CID 59204070
12-pyrrolidin-1-yldodecyl 2,2-difluoropropanoate
CID 58341569
3,3-dimethylbutyl 2,2-dimethylbutanoate
CID 59126222
2-piperidin-1-ylethyl 2-chloroacetate
CID 12849131

Frequently Asked Questions

What is the IUPAC name of methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate?
The IUPAC name of methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate (CID 157124650) is methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate.
What is the SMILES notation for methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate?
The canonical SMILES for methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate is C.C.CCC(C)(C)C(=O)OCCN1CCCCC1.
What is the InChIKey of methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate?
The InChIKey is AIJGRAKIYGOZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.2CH4/c1-4-13(2,3)12(15)16-11-10-14-8-6-5-7-9-14;;/h4-11H2,1-3H3;2*1H4.
What are the key properties of methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate?
methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate has a molecular weight of 259.43 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 methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 157124650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).