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

C18H31NO4 — CID 89451370

IUPAC2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(OC(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H31NO4/c1-4-18(2,3)23-17(21)19-12-10-15(11-13-19)22-16(20)14-8-6-5-7-9-14/h14-15H,4-13H2,1-3H3
InChIKeyDDDJIDSRSGJAPF-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.90
Rot. Bonds4

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

2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate (PubChem CID 89451370) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate
PubChem CID89451370
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Name2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(OC(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H31NO4/c1-4-18(2,3)23-17(21)19-12-10-15(11-13-19)22-16(20)14-8-6-5-7-9-14/h14-15H,4-13H2,1-3H3
InChIKeyDDDJIDSRSGJAPF-UHFFFAOYSA-N
XLogP3.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.90
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
tert-butyl 4-[4-(cyclopropanecarbonyloxy)piperidine-1-carbonyl]piperazine-1-carboxylate
CID 175130527
2-methylbutan-2-yl 4-(4,4,4-trifluorobutanoyloxy)piperidine-1-carboxylate
CID 123893512
2-methylbutan-2-yl 4-(2-ethylpentanoyloxy)piperidine-1-carboxylate
CID 121355117
2-methylbutan-2-yl 4-(2,2,4,4,4-pentafluorobutanoyloxy)piperidine-1-carboxylate
CID 58070697
CID 155769975
CID 155769975
(4-cyclohexyl-2-methylbutan-2-yl) pyrrolidine-1-carboxylate
CID 118031632
2-methylbutan-2-yl 4-(2-oxoethyl)piperidine-1-carboxylate
CID 169083447
2-methylbutan-2-yl 4-[1-adamantyl(hydroxy)methoxy]piperidine-1-carboxylate
CID 155471145
3-[1-(2-methylbutan-2-yloxycarbonyl)piperidine-4-carbonyl]oxypropane-1-sulfonate
CID 170533032
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173
cyclooctyl cyclooctanecarboxylate
CID 57160377

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate (CID 89451370) is 2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate is CCC(C)(C)OC(=O)N1CCC(OC(=O)C2CCCCC2)CC1.
What is the InChIKey of 2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate?
The InChIKey is DDDJIDSRSGJAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4/c1-4-18(2,3)23-17(21)19-12-10-15(11-13-19)22-16(20)14-8-6-5-7-9-14/h14-15H,4-13H2,1-3H3.
What are the key properties of 2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate?
2-methylbutan-2-yl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate has a molecular weight of 325.45 g/mol, XLogP of 3.90, 4 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-(cyclohexanecarbonyloxy)piperidine-1-carboxylate is sourced from PubChem (CID 89451370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).