tert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate

C17H25NO2 — CID 134967337

IUPACtert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate
SMILESCc1ccccc1C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H25NO2/c1-13-8-5-6-10-15(13)14-9-7-11-18(12-14)16(19)20-17(2,3)4/h5-6,8,10,14H,7,9,11-12H2,1-4H3
InChIKeySVHOHMLOGUCISR-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.11
Rot. Bonds1

About tert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate

tert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate (PubChem CID 134967337) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate
PubChem CID134967337
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate
SMILESCc1ccccc1C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H25NO2/c1-13-8-5-6-10-15(13)14-9-7-11-18(12-14)16(19)20-17(2,3)4/h5-6,8,10,14H,7,9,11-12H2,1-4H3
InChIKeySVHOHMLOGUCISR-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate (CID 134967337) is tert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate is Cc1ccccc1C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate?
The InChIKey is SVHOHMLOGUCISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-8-5-6-10-15(13)14-9-7-11-18(12-14)16(19)20-17(2,3)4/h5-6,8,10,14H,7,9,11-12H2,1-4H3.
What are the key properties of tert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate?
tert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 134967337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).