(2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate

C15H20BrNO2 — CID 59825489

IUPAC(2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate
SMILESCc1ccc(OC(=O)N2CC(C)CC(C)C2)c(Br)c1
InChIInChI=1S/C15H20BrNO2/c1-10-4-5-14(13(16)7-10)19-15(18)17-8-11(2)6-12(3)9-17/h4-5,7,11-12H,6,8-9H2,1-3H3
InChIKeyLUYJCPZBTZXNEY-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.23
Rot. Bonds1

About (2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate

(2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate (PubChem CID 59825489) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate
PubChem CID59825489
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate
SMILESCc1ccc(OC(=O)N2CC(C)CC(C)C2)c(Br)c1
InChIInChI=1S/C15H20BrNO2/c1-10-4-5-14(13(16)7-10)19-15(18)17-8-11(2)6-12(3)9-17/h4-5,7,11-12H,6,8-9H2,1-3H3
InChIKeyLUYJCPZBTZXNEY-UHFFFAOYSA-N
XLogP4.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate?
The IUPAC name of (2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate (CID 59825489) is (2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for (2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate?
The canonical SMILES for (2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate is Cc1ccc(OC(=O)N2CC(C)CC(C)C2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate?
The InChIKey is LUYJCPZBTZXNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10-4-5-14(13(16)7-10)19-15(18)17-8-11(2)6-12(3)9-17/h4-5,7,11-12H,6,8-9H2,1-3H3.
What are the key properties of (2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate?
(2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate has a molecular weight of 326.23 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methylphenyl) 3,5-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 59825489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).