2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate

C18H33NO4 — CID 121355117

IUPAC2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate
SMILESCCCC(CC)C(=O)OC1CCN(C(=O)OC(C)(C)CC)CC1
InChIInChI=1S/C18H33NO4/c1-6-9-14(7-2)16(20)22-15-10-12-19(13-11-15)17(21)23-18(4,5)8-3/h14-15H,6-13H2,1-5H3
InChIKeyKUMBXDOIELSEBT-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.15
Rot. Bonds7

About 2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate

2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate (PubChem CID 121355117) has the molecular formula C18H33NO4 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate
PubChem CID121355117
Molecular FormulaC18H33NO4
Molecular Weight327.47 g/mol
Exact Mass327.24
IUPAC Name2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate
SMILESCCCC(CC)C(=O)OC1CCN(C(=O)OC(C)(C)CC)CC1
InChIInChI=1S/C18H33NO4/c1-6-9-14(7-2)16(20)22-15-10-12-19(13-11-15)17(21)23-18(4,5)8-3/h14-15H,6-13H2,1-5H3
InChIKeyKUMBXDOIELSEBT-UHFFFAOYSA-N
XLogP4.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate
CID 70958185
2-methylbutan-2-yl 4-(4,4,4-trifluorobutanoyloxy)piperidine-1-carboxylate
CID 123893512
2-methylbutan-2-yl 4-(2,2,4,4,4-pentafluorobutanoyloxy)piperidine-1-carboxylate
CID 58070697
2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate
CID 89451370
2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate
CID 169083447
CID 155769975
CID 155769975
2-methylbutan-2-yl 4-[1-adamantyl(hydroxy)methoxy]piperidine-1-carboxylate
CID 155471145
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate
CID 21292956
(1-amino-2-methylpropan-2-yl) 3-methoxypyrrolidine-1-carboxylate
CID 70427418
2-methylbutan-2-yl 4-(2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 135170247
2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 129103300
tert-butyl 4-(2-hydroxypentyl)piperidine-1-carboxylate
CID 18423469

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate (CID 121355117) is 2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate is CCCC(CC)C(=O)OC1CCN(C(=O)OC(C)(C)CC)CC1.
What is the InChIKey of 2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate?
The InChIKey is KUMBXDOIELSEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO4/c1-6-9-14(7-2)16(20)22-15-10-12-19(13-11-15)17(21)23-18(4,5)8-3/h14-15H,6-13H2,1-5H3.
What are the key properties of 2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate?
2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate has a molecular weight of 327.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate is sourced from PubChem (CID 121355117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).