(4-bromophenyl) 4-aminopiperidine-1-carboxylate

C12H15BrN2O2 — CID 116819274

IUPAC(4-bromophenyl) 4-aminopiperidine-1-carboxylate
SMILESNC1CCN(C(=O)Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C12H15BrN2O2/c13-9-1-3-11(4-2-9)17-12(16)15-7-5-10(14)6-8-15/h1-4,10H,5-8,14H2
InChIKeyRSEFFCSKVWNLQN-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.37
Rot. Bonds1

About (4-bromophenyl) 4-aminopiperidine-1-carboxylate

(4-bromophenyl) 4-aminopiperidine-1-carboxylate (PubChem CID 116819274) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is (4-bromophenyl) 4-aminopiperidine-1-carboxylate.

Molecular Properties

Compound Name(4-bromophenyl) 4-aminopiperidine-1-carboxylate
PubChem CID116819274
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name(4-bromophenyl) 4-aminopiperidine-1-carboxylate
SMILESNC1CCN(C(=O)Oc2ccc(Br)cc2)CC1
InChIInChI=1S/C12H15BrN2O2/c13-9-1-3-11(4-2-9)17-12(16)15-7-5-10(14)6-8-15/h1-4,10H,5-8,14H2
InChIKeyRSEFFCSKVWNLQN-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl) 4-aminopiperidine-1-carboxylate?
The IUPAC name of (4-bromophenyl) 4-aminopiperidine-1-carboxylate (CID 116819274) is (4-bromophenyl) 4-aminopiperidine-1-carboxylate.
What is the SMILES notation for (4-bromophenyl) 4-aminopiperidine-1-carboxylate?
The canonical SMILES for (4-bromophenyl) 4-aminopiperidine-1-carboxylate is NC1CCN(C(=O)Oc2ccc(Br)cc2)CC1.
What is the InChIKey of (4-bromophenyl) 4-aminopiperidine-1-carboxylate?
The InChIKey is RSEFFCSKVWNLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c13-9-1-3-11(4-2-9)17-12(16)15-7-5-10(14)6-8-15/h1-4,10H,5-8,14H2.
What are the key properties of (4-bromophenyl) 4-aminopiperidine-1-carboxylate?
(4-bromophenyl) 4-aminopiperidine-1-carboxylate has a molecular weight of 299.17 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl) 4-aminopiperidine-1-carboxylate is sourced from PubChem (CID 116819274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).