tert-butyl 2-methylpiperidine-1-carboxylate

C11H21NO2 — CID 4578077

IUPACtert-butyl 2-methylpiperidine-1-carboxylate
SMILESCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-9-7-5-6-8-12(9)10(13)14-11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyDHJKRRZIUOQEFW-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.80
Rot. Bonds

About tert-butyl 2-methylpiperidine-1-carboxylate

tert-butyl 2-methylpiperidine-1-carboxylate (PubChem CID 4578077) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methylpiperidine-1-carboxylate
PubChem CID4578077
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 2-methylpiperidine-1-carboxylate
SMILESCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-9-7-5-6-8-12(9)10(13)14-11(2,3)4/h9H,5-8H2,1-4H3
InChIKeyDHJKRRZIUOQEFW-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methylpiperidine-1-carboxylate (CID 4578077) is tert-butyl 2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methylpiperidine-1-carboxylate is CC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methylpiperidine-1-carboxylate?
The InChIKey is DHJKRRZIUOQEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-7-5-6-8-12(9)10(13)14-11(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-methylpiperidine-1-carboxylate?
tert-butyl 2-methylpiperidine-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 4578077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).