2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate

C11H21NO3 — CID 59148808

IUPAC2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(O)CC1
InChIInChI=1S/C11H21NO3/c1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12/h9,13H,4-8H2,1-3H3
InChIKeyVWYMQCMKEVZSFW-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.77
Rot. Bonds2

About 2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate

2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate (PubChem CID 59148808) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate
PubChem CID59148808
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate
SMILESCCC(C)(C)OC(=O)N1CCC(O)CC1
InChIInChI=1S/C11H21NO3/c1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12/h9,13H,4-8H2,1-3H3
InChIKeyVWYMQCMKEVZSFW-UHFFFAOYSA-N
XLogP1.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate?
The IUPAC name of 2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate (CID 59148808) is 2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for 2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for 2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate is CCC(C)(C)OC(=O)N1CCC(O)CC1.
What is the InChIKey of 2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate?
The InChIKey is VWYMQCMKEVZSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12/h9,13H,4-8H2,1-3H3.
What are the key properties of 2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate?
2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 59148808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).