methane;piperidin-4-yl 2,2-dimethylbutanoate

C12H25NO2 — CID 158089373

IUPACmethane;piperidin-4-yl 2,2-dimethylbutanoate
SMILESC.CCC(C)(C)C(=O)OC1CCNCC1
InChIInChI=1S/C11H21NO2.CH4/c1-4-11(2,3)10(13)14-9-5-7-12-8-6-9;/h9,12H,4-8H2,1-3H3;1H4
InChIKeyFNXHLTLEZDACOW-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.35
Rot. Bonds3

About methane;piperidin-4-yl 2,2-dimethylbutanoate

methane;piperidin-4-yl 2,2-dimethylbutanoate (PubChem CID 158089373) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is methane;piperidin-4-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Namemethane;piperidin-4-yl 2,2-dimethylbutanoate
PubChem CID158089373
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namemethane;piperidin-4-yl 2,2-dimethylbutanoate
SMILESC.CCC(C)(C)C(=O)OC1CCNCC1
InChIInChI=1S/C11H21NO2.CH4/c1-4-11(2,3)10(13)14-9-5-7-12-8-6-9;/h9,12H,4-8H2,1-3H3;1H4
InChIKeyFNXHLTLEZDACOW-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methane;piperidin-4-yl 2,2-dimethylbutanoate 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

piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride
CID 175355615
piperidin-4-ylmethyl 2,2-dimethylbutanoate
CID 59513098
(4-cyanocyclohexyl) 2,2-dimethylbutanoate
CID 58030563
(3,4,5-trimethylcyclohexyl) 2,2-dimethylbutanoate
CID 167692238
[4-(1-ethoxyethoxy)cyclohexyl] 2,2-dimethylbutanoate
CID 58040859
[4-(ethylsulfonylamino)cyclohexyl] 2,2-dimethylbutanoate
CID 118346143
tert-butyl piperidin-4-yl carbonate
CID 22078382
(2-cyclopropyloxy-2-oxoethyl) 2,2-dimethylbutanoate
CID 118132262
dipiperidin-4-yl carbonate
CID 129132812
methane;methyl 2,2-dimethylbutanoate
CID 161256043
[4-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexyl] 2,2-dimethylbutanoate
CID 59837076
[4-(2-methylprop-2-enoylamino)cyclohexyl] 2,2-dimethylbutanoate
CID 58715983

Frequently Asked Questions

What is the IUPAC name of methane;piperidin-4-yl 2,2-dimethylbutanoate?
The IUPAC name of methane;piperidin-4-yl 2,2-dimethylbutanoate (CID 158089373) is methane;piperidin-4-yl 2,2-dimethylbutanoate.
What is the SMILES notation for methane;piperidin-4-yl 2,2-dimethylbutanoate?
The canonical SMILES for methane;piperidin-4-yl 2,2-dimethylbutanoate is C.CCC(C)(C)C(=O)OC1CCNCC1.
What is the InChIKey of methane;piperidin-4-yl 2,2-dimethylbutanoate?
The InChIKey is FNXHLTLEZDACOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.CH4/c1-4-11(2,3)10(13)14-9-5-7-12-8-6-9;/h9,12H,4-8H2,1-3H3;1H4.
What are the key properties of methane;piperidin-4-yl 2,2-dimethylbutanoate?
methane;piperidin-4-yl 2,2-dimethylbutanoate has a molecular weight of 215.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;piperidin-4-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 158089373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).