tert-butyl 3-methylpiperidine-4-carboxylate

C11H21NO2 — CID 3356505

IUPACtert-butyl 3-methylpiperidine-4-carboxylate
SMILESCC1CNCCC1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-8-7-12-6-5-9(8)10(13)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyAVBWGECREPOGMS-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds1

About tert-butyl 3-methylpiperidine-4-carboxylate

tert-butyl 3-methylpiperidine-4-carboxylate (PubChem CID 3356505) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 3-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methylpiperidine-4-carboxylate
PubChem CID3356505
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 3-methylpiperidine-4-carboxylate
SMILESCC1CNCCC1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-8-7-12-6-5-9(8)10(13)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyAVBWGECREPOGMS-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R,4R)-3-methylpiperidine-4-carboxylate;molecular hydrogen
CID 142290710
tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate
CID 96860128
tert-butyl 4-hydroxypiperidine-3-carboxylate
CID 105453621
tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate
CID 178194440
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
ethyl (3S,4R)-3-methylpiperidine-4-carboxylate
CID 27282207
ethyl (3S,4S)-3-methylpiperidine-4-carboxylate
CID 27282210
(3R,4S)-3-methylpiperidine-4-carboxylic acid;hydrochloride
CID 126970561
N-methoxy-3-methylpiperidine-4-carboxamide
CID 130516234
tert-butyl N-methyl-N-(3-methylpiperidin-4-yl)carbamate
CID 53415355
3-O-tert-butyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137562
trans-tert-butyl (1R,2R)-4-chloro-2-methylcyclohexane-1-carboxylate
CID 6708790

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methylpiperidine-4-carboxylate?
The IUPAC name of tert-butyl 3-methylpiperidine-4-carboxylate (CID 3356505) is tert-butyl 3-methylpiperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-methylpiperidine-4-carboxylate?
The canonical SMILES for tert-butyl 3-methylpiperidine-4-carboxylate is CC1CNCCC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-methylpiperidine-4-carboxylate?
The InChIKey is AVBWGECREPOGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-7-12-6-5-9(8)10(13)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-methylpiperidine-4-carboxylate?
tert-butyl 3-methylpiperidine-4-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methylpiperidine-4-carboxylate is sourced from PubChem (CID 3356505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).