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

C17H25NO2 — CID 10778809

IUPACtert-butyl 2-(2-methylphenyl)piperidine-1-carboxylate
SMILESCc1ccccc1C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO2/c1-13-9-5-6-10-14(13)15-11-7-8-12-18(15)16(19)20-17(2,3)4/h5-6,9-10,15H,7-8,11-12H2,1-4H3
InChIKeyDULJGOPYCIHUTQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.46
Rot. Bonds1

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

tert-butyl 2-(2-methylphenyl)piperidine-1-carboxylate (PubChem CID 10778809) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl 2-(2-methylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-methylphenyl)piperidine-1-carboxylate
PubChem CID10778809
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl 2-(2-methylphenyl)piperidine-1-carboxylate
SMILESCc1ccccc1C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO2/c1-13-9-5-6-10-14(13)15-11-7-8-12-18(15)16(19)20-17(2,3)4/h5-6,9-10,15H,7-8,11-12H2,1-4H3
InChIKeyDULJGOPYCIHUTQ-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-methylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-methylphenyl)piperidine-1-carboxylate (CID 10778809) is tert-butyl 2-(2-methylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-methylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-methylphenyl)piperidine-1-carboxylate is Cc1ccccc1C1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-methylphenyl)piperidine-1-carboxylate?
The InChIKey is DULJGOPYCIHUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-9-5-6-10-14(13)15-11-7-8-12-18(15)16(19)20-17(2,3)4/h5-6,9-10,15H,7-8,11-12H2,1-4H3.
What are the key properties of tert-butyl 2-(2-methylphenyl)piperidine-1-carboxylate?
tert-butyl 2-(2-methylphenyl)piperidine-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-methylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 10778809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).