4-(2-bromophenyl)-2-(methoxymethyl)piperidine

C13H18BrNO — CID 117258595

IUPAC4-(2-bromophenyl)-2-(methoxymethyl)piperidine
SMILESCOCC1CC(c2ccccc2Br)CCN1
InChIInChI=1S/C13H18BrNO/c1-16-9-11-8-10(6-7-15-11)12-4-2-3-5-13(12)14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyVEOGMQWAELKPTE-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.93
Rot. Bonds3

About 4-(2-bromophenyl)-2-(methoxymethyl)piperidine

4-(2-bromophenyl)-2-(methoxymethyl)piperidine (PubChem CID 117258595) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(methoxymethyl)piperidine.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(methoxymethyl)piperidine
PubChem CID117258595
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-(2-bromophenyl)-2-(methoxymethyl)piperidine
SMILESCOCC1CC(c2ccccc2Br)CCN1
InChIInChI=1S/C13H18BrNO/c1-16-9-11-8-10(6-7-15-11)12-4-2-3-5-13(12)14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyVEOGMQWAELKPTE-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-(methoxymethyl)piperidine?
The IUPAC name of 4-(2-bromophenyl)-2-(methoxymethyl)piperidine (CID 117258595) is 4-(2-bromophenyl)-2-(methoxymethyl)piperidine.
What is the SMILES notation for 4-(2-bromophenyl)-2-(methoxymethyl)piperidine?
The canonical SMILES for 4-(2-bromophenyl)-2-(methoxymethyl)piperidine is COCC1CC(c2ccccc2Br)CCN1.
What is the InChIKey of 4-(2-bromophenyl)-2-(methoxymethyl)piperidine?
The InChIKey is VEOGMQWAELKPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-9-11-8-10(6-7-15-11)12-4-2-3-5-13(12)14/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of 4-(2-bromophenyl)-2-(methoxymethyl)piperidine?
4-(2-bromophenyl)-2-(methoxymethyl)piperidine has a molecular weight of 284.20 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-(methoxymethyl)piperidine is sourced from PubChem (CID 117258595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).