4-(4-bromophenyl)-4-methylpiperidine;ethyl formate

C15H22BrNO2 — CID 159546883

IUPAC4-(4-bromophenyl)-4-methylpiperidine;ethyl formate
SMILESCC1(c2ccc(Br)cc2)CCNCC1.CCOC=O
InChIInChI=1S/C12H16BrN.C3H6O2/c1-12(6-8-14-9-7-12)10-2-4-11(13)5-3-10;1-2-5-3-4/h2-5,14H,6-9H2,1H3;3H,2H2,1H3
InChIKeyMEXGFZKNRMVZFE-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.27
Rot. Bonds3

About 4-(4-bromophenyl)-4-methylpiperidine;ethyl formate

4-(4-bromophenyl)-4-methylpiperidine;ethyl formate (PubChem CID 159546883) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-(4-bromophenyl)-4-methylpiperidine;ethyl formate.

Molecular Properties

Compound Name4-(4-bromophenyl)-4-methylpiperidine;ethyl formate
PubChem CID159546883
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name4-(4-bromophenyl)-4-methylpiperidine;ethyl formate
SMILESCC1(c2ccc(Br)cc2)CCNCC1.CCOC=O
InChIInChI=1S/C12H16BrN.C3H6O2/c1-12(6-8-14-9-7-12)10-2-4-11(13)5-3-10;1-2-5-3-4/h2-5,14H,6-9H2,1H3;3H,2H2,1H3
InChIKeyMEXGFZKNRMVZFE-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-4-methylpiperidine;ethyl formate?
The IUPAC name of 4-(4-bromophenyl)-4-methylpiperidine;ethyl formate (CID 159546883) is 4-(4-bromophenyl)-4-methylpiperidine;ethyl formate.
What is the SMILES notation for 4-(4-bromophenyl)-4-methylpiperidine;ethyl formate?
The canonical SMILES for 4-(4-bromophenyl)-4-methylpiperidine;ethyl formate is CC1(c2ccc(Br)cc2)CCNCC1.CCOC=O.
What is the InChIKey of 4-(4-bromophenyl)-4-methylpiperidine;ethyl formate?
The InChIKey is MEXGFZKNRMVZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN.C3H6O2/c1-12(6-8-14-9-7-12)10-2-4-11(13)5-3-10;1-2-5-3-4/h2-5,14H,6-9H2,1H3;3H,2H2,1H3.
What are the key properties of 4-(4-bromophenyl)-4-methylpiperidine;ethyl formate?
4-(4-bromophenyl)-4-methylpiperidine;ethyl formate has a molecular weight of 328.25 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-4-methylpiperidine;ethyl formate is sourced from PubChem (CID 159546883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).