piperidin-4-ylmethyl 2,2-dimethylbutanoate

C12H23NO2 — CID 59513098

IUPACpiperidin-4-ylmethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC1CCNCC1
InChIInChI=1S/C12H23NO2/c1-4-12(2,3)11(14)15-9-10-5-7-13-8-6-10/h10,13H,4-9H2,1-3H3
InChIKeyVKCZBICISMVHHA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.97
Rot. Bonds4

About piperidin-4-ylmethyl 2,2-dimethylbutanoate

piperidin-4-ylmethyl 2,2-dimethylbutanoate (PubChem CID 59513098) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is piperidin-4-ylmethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Namepiperidin-4-ylmethyl 2,2-dimethylbutanoate
PubChem CID59513098
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namepiperidin-4-ylmethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC1CCNCC1
InChIInChI=1S/C12H23NO2/c1-4-12(2,3)11(14)15-9-10-5-7-13-8-6-10/h10,13H,4-9H2,1-3H3
InChIKeyVKCZBICISMVHHA-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methane;piperidin-4-yl 2,2-dimethylbutanoate
CID 158089373
ethane;piperidin-4-ylmethyl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 145475559
ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate
CID 83212988
cyclopropylmethyl 3-amino-2,2-dimethylpropanoate
CID 115428189
[4-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexyl]methyl 2,2-dimethylbutanoate
CID 59837094
piperidin-4-ylmethyl piperidine-4-carboxylate
CID 162440838
cyclopropylmethyl 2-bromo-2-methylpropanoate
CID 134896391
(1-methylcyclohexyl) 4-(2,2-dimethylbutanoyloxymethyl)cyclohexane-1-carboxylate
CID 58887088
[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxymethyl]cyclohexyl]methyl 2,2-dimethylbutanoate
CID 153307201
[4-(hydroxymethyl)cyclohexyl]methyl 2,2-dimethylpropanoate
CID 15349892
pyrrolidin-3-ylmethyl 2,2,2-trichloroacetate;hydrochloride
CID 56829476
cyclohexylmethyl 2-amino-2-methylbutanoate
CID 79799242

Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl 2,2-dimethylbutanoate?
The IUPAC name of piperidin-4-ylmethyl 2,2-dimethylbutanoate (CID 59513098) is piperidin-4-ylmethyl 2,2-dimethylbutanoate.
What is the SMILES notation for piperidin-4-ylmethyl 2,2-dimethylbutanoate?
The canonical SMILES for piperidin-4-ylmethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethyl 2,2-dimethylbutanoate?
The InChIKey is VKCZBICISMVHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-12(2,3)11(14)15-9-10-5-7-13-8-6-10/h10,13H,4-9H2,1-3H3.
What are the key properties of piperidin-4-ylmethyl 2,2-dimethylbutanoate?
piperidin-4-ylmethyl 2,2-dimethylbutanoate has a molecular weight of 213.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 59513098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).